(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-disulfooxy-6-(sul

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-disulfooxy-6-(sul Openeye Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[1-[4-[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-disulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[[1-[4-[4-[2-[2-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-5-[[(2S,3R,4S,5R,6R)-5-[[(2S,3R,4S,5R,6R)-5-[[(2S,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dis IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[1-[4-[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-disulfooxy-6-(sulf Traditional Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[[1-[4-[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-disulfoxy-6-(sulfoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]o Formula: C111H185N3O139S24 MolecularWeight: 4555.1533

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1OC)OC2C(C(C(OC2C(=O)O)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCSC6CC(=O)N(C6=O)C7=CC=C(C=C7)CCCC(=O)NCCOCCOCCOCCOCCOCCOC8C(C(C(C(O8)COS(=O)(=O)O)OC9C(C(C(C(O9)COS(=O)(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCSC6CC(=O)N(C6=O)C7=CC=C(C=C7)CCCC(=O)NCCOCCOCCOCCOCCOCCO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C111H185N3O139S24/c1-192-75-67(55(44-213-255(123,124)125)223-104(89(75)195-4)235-78-76(193-2)90(196-5)106(237-87(78)100(119)120)230-70-58(47-216-258(132,133)134)227-111(97(252-276(186,187)188)82(70)242-266(156,157)158)236-79-77(194-3)91(197-6)105(238-88(79)101(121)122)229-68-56(45-214-256(126,127)128)221-102(198-7)92(247-271(171,172)173)80(68)240-264(150,151)152)211-39-37-207-31-29-202-22-20-200-18-16-113-65(116)52-210-36-35-206-28-27-205-33-34-209-41-42-254-63-43-66(117)114(99(63)118)54-13-11-53(12-14-54)9-8-10-64(115)112-15-17-199-19-21-201-23-24-203-25-26-204-30-32-208-38-40-212-103-93(248-272(174,175)176)81(241-265(153,154)155)69(57(222-103)46-215-257(129,130)131)231-107-94(249-273(177,178)179)83(243-267(159,160)161)71(59(224-107)48-217-259(135,136)137)232-108-95(250-274(180,181)182)84(244-268(162,163)164)72(60(225-108)49-218-260(138,139)140)233-109-96(251-275(183,184)185)85(245-269(165,166)167)73(61(226-109)50-219-261(141,142)143)234-110-98(253-277(189,190)191)86(246-270(