Based on the SMILES representation CO[C@H]1CCO[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC(=O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)C[C@H]2O)[C@H]1O, the molecule can be described by:
The molecule is a cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy moiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. It has a role as a metabolite and an antineoplastic agent. It is a cardenolide glycoside and a monosaccharide derivative.
Based on the {SMILES__description} {#representation |!}{SMILES#}, the molecule can be described {#by|as!}:
{description#}
CO[C@H]1CCO[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC(=O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)C[C@H]2O)[C@H]1O
C[C@]12C[C@H]([C@@H](C=C1CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@H]([C@H](CCO6)OC)O)O
3-[(2R,3R,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-[(2S,3S,4S)-3-hydroxy-4-methoxyoxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
The molecule is a cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy moiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. It has a role as a metabolite and an antineoplastic agent. It is a cardenolide glycoside and a monosaccharide derivative.