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sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-methyl-3-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

Systemtic Name:	sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-methyl-3-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
Openeye Name:	sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[(1R)-1-hydroxy-1,5-dimethyl-2-oxo-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfa
CAS Name:	sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[[(2R,3R,4S,5R,6R)-4-[[(2S,3R,4S,5R)-3-[[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-4-hydroxy-2-oxanyl]oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-17-[(2R)-2-hydroxy-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
IUPAC Name:	sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2R)-2-hydroxy-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
Traditional Name:	sodium [(3S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[(1R)-1-hydroxy-2-keto-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulf
Formula:	C₅₇H₉₃NaO₂₇S
MolecularWeight:	1265.38689

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3COC(C(C3O)OC4C(C(C(C(O4)C)O)OC)O)OC5C(C(OC(C5O)OC6CC7C8CCC(C8(CC=C7C9(C6CC(CC9)OS(=O)(=O)[O-])C)C)C(C)(C(=O)CCC(C)C)O)C)O)C)O)O)O)O)O.[Na+]

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]2O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)OC)O)O[C@H]5[C@@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6C[C@H]7[C@@H]8CC[C@@H]([C@]8(CC=C7[C@@]9(C6C[C@H](CC9)OS(=O)(=O)[O-])C)C)[C@](C)(C(=O)CCC(C)C)O)C)O)C)O)O)O)O)O.[Na+]

InChI

InChI=1S/C57H94O27S.Na/c1-22(2)11-14-35(58)57(9,69)34-13-12-29-28-20-32(31-19-27(84-85(70,71)72)15-17-55(31,7)30(28)16-18-56(29,34)8)79-51-45(68)47(39(62)26(6)76-51)81-53-48(82-52-44(67)46(73-10)38(61)25(5)77-52)40(63)33(21-74-53)80-54-49(42(65)37(60)24(4)78-54)83-50-43(66)41(64)36(59)23(3)75-50;/h16,22-29,31-34,36-54,59-69H,11-15,17-21H2,1-10H3,(H,70,71,72);/q;+1/p-1/t23-,24-,25-,26-,27+,28+,29+,31?,32+,33-,34+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-;/m1./s1

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