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[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-6-[[(2E,6S)-6-[(2S,3R,4S,5R)-3-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-octa-2,7-dienoyl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,6-dimethyl-octa-2,7-dienoyl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4R

Systemtic Name:	[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-6-[[(2E,6S)-6-[(2S,3R,4S,5R)-3-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-octa-2,7-dienoyl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,6-dimethyl-octa-2,7-dienoyl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4R
Openeye Name:	[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[[(2E,6S)-6-[(2S,3R,4S,5R)-3-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-octa-2,7-dienoyl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,6-dimethyl-octa-2,7-dienoyl]oxymethyl]-4,5-dihydroxy-tetrahydrop
CAS Name:	(4aR,5R,6aR,6aS,6bR,10S,12aR)-10-[[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-4,5-dihydroxy-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3-[[(2S,3R,4S,5S,6S)-5-[[(2S,3R,4S,5R)-3,5-dihydroxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-6-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyme
IUPAC Name:	[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2E,6S)-6-[(2S,3R,4S,5R)-3-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoyl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3
Traditional Name:	(4aR,5R,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-4
Formula:	C₁₀₆H₁₆₇NO₅₁
MolecularWeight:	2271.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)COC9C(C(C(CO9)O)O)OC1C(C(C(CO1)O)O)O)O)O)NC(=O)C)C)(C)C)COC(=O)C(=CCCC(C)(C=C)OC1C(C(C(CO1)O)O)OC(=O)C(=CCCC(C)(C=C)OC1C(C(C(CO1)O)O)O)C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@]34CCC(CC3C5=CC[C@@H]6[C@]7(CC[C@@H](C(C7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)NC(=O)C)C)(C)C)COC(=O)/C(=C/CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)OC(=O)/C(=C/CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)/C)/C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

InChI

InChI=1S/C106H167NO51/c1-16-101(11,157-92-76(130)65(119)51(112)37-141-92)26-19-21-44(4)87(135)150-84-67(121)53(114)39-143-96(84)158-102(12,17-2)27-18-20-43(3)86(134)137-41-56-70(124)73(127)85(155-94-79(133)82(153-93-77(131)72(126)68(122)55(34-108)146-93)80(45(5)145-94)151-91-78(132)81(54(115)40-140-91)152-89-74(128)63(117)49(110)35-138-89)97(148-56)156-98(136)106-31-30-99(7,8)32-48(106)47-22-23-59-103(13)28-25-61(100(9,10)58(103)24-29-104(59,14)105(47,15)33-60(106)116)149-88-62(107-46(6)109)71(125)69(123)57(147-88)42-144-95-83(66(120)52(113)38-142-95)154-90-75(129)64(118)50(111)36-139-90/h16-17,20-22,45,48-85,88-97,108,110-133H,1-2,18-19,23-42H2,3-15H3,(H,107,109)/b43-20+,44-21+/t45-,48?,49+,50-,51+,52-,53+,54+,55+,56+,57+,58?,59+,60+,61-,62+,63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79+,80-,81-,82-,83+,84+,85+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101+,102+,103-,104+,105+,106+/m0/s1

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