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

Systemtic Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,6S)-4-methoxy-6-[(1S)-1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-oxidanyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-oxan-3-yl]oxy-oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,6S)-6-[(1S)-1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,6S)-6-[(1S)-1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-17-hydroxy-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4-methoxy-2-methyl-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,6S)-6-[(1S)-1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,6S)-6-[(1S)-1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C41H68O15 MolecularWeight: 800.96962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4C=CC3C2)CCC5(C(C)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O)C)C)O)OC)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4C=C[C@H]3C2)CC[C@@]5([C@H](C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OC)O)C)C)O)OC)O

InChI

InChI=1S/C41H68O15/c1-19-30(43)36(50-7)34(47)38(52-19)54-23-10-13-39(4)22(16-23)8-9-24-25(39)11-14-40(5)26(24)12-15-41(40,48)21(3)53-29-17-27(49-6)35(20(2)51-29)56-37-33(46)32(45)31(44)28(18-42)55-37/h8-9,19-38,42-48H,10-18H2,1-7H3/t19-,20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+/m1/s1