Molecule ID: 11713085

IUPAC Name: [(3S,5R,6S,7S,8R,10S,12S)-6,7,16-trihydroxy-12-(4-methoxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),14(18),15-trien-5-yl]methyl acetate

Description: The molecule is an organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 6-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana. It has a role as a plant metabolite. It is a carbohydrate derivative, an organic heterotetracyclic compound and a polycyclic ether. It derives from a 6-O-acetyl-beta-D-glucose.

SMILES: COc1ccc([C@@H]2C[C@@H]3O[C@H]4[C@H](Oc5c(C)c(O)c(C)c(c53)O2)O[C@H](COC(C)=O)[C@@H](O)[C@@H]4O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C@@H1][C][C@@H1][O][C@H1][C@H1][Branch2][Ring1][#Branch2][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=C][O][Ring1][P][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch1][O][C][=C][Ring2][Ring2][C]

InChI: InChI=1S/C26H30O10/c1-11-20(28)12(2)24-19-17(9-16(33-23(11)19)14-5-7-15(31-4)8-6-14)34-25-22(30)21(29)18(10-32-13(3)27)35-26(25)36-24/h5-8,16-18,21-22,25-26,28-30H,9-10H2,1-4H3/t16-,17-,18+,21+,22-,25+,26-/m0/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 1.9