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

Systemtic Name: (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-2-[[(2R,3S,4R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7-tris(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-2-[[(2R,3S,4R,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-2,3,7-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R,6R)-2-[[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(2R,3S,4R,7R,8S,9S,10R,13R,14S,17R)-2,3,7-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(2R,3S,4R,7R,8S,9S,10R,13R,14S,17R)-2,3,7-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-2-[[(2R,3S,4R,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-2,3,7-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C38H62O13 MolecularWeight: 726.89108

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C1CCC2C1(CCC3C2C(C=C4C3(CC(C(C4OC5C(C(C(CO5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)O)C

Isomeric SMILES

C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(C[C@H]([C@@H]([C@@H]4O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)C)O)C

InChI

InChI=1S/C38H62O13/c1-17(2)7-6-8-18(3)19-9-10-20-27-21(11-12-37(19,20)4)38(5)14-24(41)28(43)33(22(38)13-23(27)40)50-36-34(29(44)25(42)16-48-36)51-35-32(47)31(46)30(45)26(15-39)49-35/h7,13,18-21,23-36,39-47H,6,8-12,14-16H2,1-5H3/t18-,19-,20+,21+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37-,38-/m1/s1