(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(3R,8R,10R,14R)-4,4,8,10,14-pentamethyl-17-(6-methyl-2-oxidanyl-hept-5-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(3R,8R,10R,14R)-4,4,8,10,14-pentamethyl-17-(6-methyl-2-oxidanyl-hept-5-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-oxane-3,4,5-triol Openeye Name: (3R,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3R,8R,10R,14R)-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (3R,4S,5S,6R)-2-[[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3R,8R,10R,14R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (3R,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3R,8R,10R,14R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (3R,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3R,8R,10R,14R)-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C42H72O12 MolecularWeight: 769.01388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)O)C

Isomeric SMILES

CC(=CCCC(C)(C1CC[C@@]2(C1CCC3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C)O)C

InChI

InChI=1S/C42H72O12/c1-22(2)10-9-16-42(8,50)24-13-18-40(6)23(24)11-12-28-39(5)17-15-29(38(3,4)27(39)14-19-41(28,40)7)53-37-35(33(48)31(46)26(21-44)52-37)54-36-34(49)32(47)30(45)25(20-43)51-36/h10,23-37,43-50H,9,11-21H2,1-8H3/t23?,24?,25-,26-,27?,28?,29-,30-,31-,32+,33+,34-,35-,36?,37?,39+,40-,41-,42?/m1/s1