(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-4,4,6a,6b,9,10,11,12,14b-nonamethyl-12,13-bis(oxidanyl)-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-4,4,6a,6b,9,10,11,12,14b-nonamethyl-12,13-bis(oxidanyl)-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-2,3,4a,5,6,7,8,8a,9,10,11,13,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C43H72O13 MolecularWeight: 797.02398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCC3(C(=C2C(C1C)(C)O)C(CC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)C

Isomeric SMILES

C[C@H]1[C@H](C2CC[C@@]3(C(=C2[C@]([C@@H]1C)(C)O)[C@H](CC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O)C)C

InChI

InChI=1S/C43H72O13/c1-19-20(2)22-10-14-42(8)30(29(22)43(9,52)21(19)3)23(46)16-27-40(6)13-12-28(39(4,5)26(40)11-15-41(27,42)7)55-38-36(34(50)32(48)25(18-45)54-38)56-37-35(51)33(49)31(47)24(17-44)53-37/h19-28,31-38,44-52H,10-18H2,1-9H3/t19-,20+,21+,22?,23-,24+,25+,26?,27?,28?,31+,32+,33-,34-,35+,36+,37-,38-,40-,41+,42+,43+/m0/s1