(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-4,7-bis(oxidanyl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-4,7-bis(oxidanyl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol Openeye Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[1-methyl-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-ethyl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4R,5R,6S)-2-[[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]propan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol Traditional Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[1-methyl-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-ethyl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol Formula: C47H80O16 MolecularWeight: 901.1285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7(CCC(C7C(CC6(C5(CC(C4C3(C)C)O)C)C)O)C(C)(C)OC8C(C(C(C(O8)C)O)O)O)C)C)O)O)O)O)O

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]3CC[C@@]4([C@H]5CC[C@@H]6[C@]7(CC[C@H]([C@@H]7[C@H](C[C@]6([C@@]5(C[C@@H]([C@H]4C3(C)C)O)C)C)O)C(C)(C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)O)O)O)O

InChI

InChI=1S/C47H80O16/c1-20-30(51)33(54)35(56)39(59-20)62-37-32(53)25(50)19-58-41(37)61-28-14-16-45(8)27-12-11-26-44(7)15-13-22(43(5,6)63-40-36(57)34(55)31(52)21(2)60-40)29(44)23(48)17-46(26,9)47(27,10)18-24(49)38(45)42(28,3)4/h20-41,48-57H,11-19H2,1-10H3/t20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,44+,45+,46+,47+/m0/s1