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sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-6-methyl-3,4,5-tris(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-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]

Systemtic Name:	sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-6-methyl-3,4,5-tris(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-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]
Openeye Name:	sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6
CAS Name:	sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[[(2R,3R,4S,5R,6R)-4-[[(2S,3R,4S,5R)-5-[[(2S,3R,4S,5R,6R)-3-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-
IUPAC Name:	sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfat
Traditional Name:	sodium [(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,1
Formula:	C₆₂H₁₀₁NaO₃₁S
MolecularWeight:	1397.50151

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(OC(C3O)OC4CC5C6CCC(C6(CC=C5C7(C4CC(CC7)OS(=O)(=O)[O-])C)C)C(C)(CCC=C(C)C)O)C)O)OC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)C)O)OC1C(C(C(C(O1)CO)O)O)O)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](CO[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)O[C@H]4C[C@H]5[C@@H]6CC[C@@H]([C@]6(CC=C5[C@@]7([C@@H]4C[C@H](CC7)OS(=O)(=O)[O-])C)C)[C@](C)(CCC=C(C)C)O)C)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O)O.[Na+]

InChI

InChI=1S/C62H102O31S.Na/c1-23(2)11-10-16-62(9,77)36-13-12-30-29-20-33(32-19-28(93-94(78,79)80)14-17-60(32,7)31(29)15-18-61(30,36)8)86-56-48(75)51(40(67)26(5)83-56)90-58-52(91-54-46(73)43(70)37(64)24(3)82-54)42(69)35(22-81-58)88-59-53(45(72)38(65)25(4)85-59)92-57-49(76)50(39(66)27(6)84-57)89-55-47(74)44(71)41(68)34(21-63)87-55;/h11,15,24-30,32-59,63-77H,10,12-14,16-22H2,1-9H3,(H,78,79,80);/q;+1/p-1/t24-,25-,26-,27-,28+,29+,30+,32-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61+,62+;/m1./s1

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