[[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]methanesulfonic acid

Systemtic Name: [[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]methanesulfonic acid Openeye Name: [[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]methanesulfonic acid CAS Name: [[[(5S,6S)-5-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl]amino]methanesulfonic acid IUPAC Name: [[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]methanesulfonic acid Traditional Name: [[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-8,13-diketo-11-methoxy-3-methyl-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]methanesulfonic acid Formula: C37H39NO20S MolecularWeight: 849.76526

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NCS(=O)(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)OC7C(C(C(CO7)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](C3=C(C4=C(C(=C(C=C24)C)C(=O)NCS(=O)(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O

InChI

InChI=1S/C37H39NO20S/c1-10-4-16-22(29(46)19(10)35(50)38-9-59(51,52)53)21-14(7-15-23(30(21)47)26(43)13-5-12(54-3)6-17(39)20(13)25(15)42)27(44)33(16)57-37-32(49)34(24(41)11(2)56-37)58-36-31(48)28(45)18(40)8-55-36/h4-7,11,18,24,27-28,31-34,36-37,39-41,44-49H,8-9H2,1-3H3,(H,38,50)(H,51,52,53)/t11-,18-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1