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

Systemtic Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,3R,8S,9S,10R,13S,14S,16S)-1-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(3S)-6-methyl-3-oxidanyl-heptan-2-yl]-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5R,6R)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S)-1-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-17-[(2S)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5R,6R)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S)-1-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-17-[(3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5R,6R)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S)-1-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-17-[(3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2R,3R,4S,5R,6R)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S)-1-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-17-[(2S)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C45H76O18 MolecularWeight: 905.07414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC(CC3=CCC4C(C23C)CCC5(C4CC(C5C(C)C(CCC(C)C)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)O)OC7C(C(C(C(O7)CO)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@@H](CC3=CC[C@@H]4[C@@H]([C@@]23C)CC[C@]5([C@H]4C[C@@H](C5C(C)[C@H](CCC(C)C)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3/t19?,20-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1