Eugeniin
Representations & DB's id
| ||
| ChEBI: | CHEBI:4916 | |
|---|---|---|
| ChEMBL: | CHEMBL450745 | |
| PubChem: | 442679 | |
| IUPAC: | [(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate | |
| Standard InChI: | InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 | |
| Standard InChI Key: | JCGHAEBIBSEQAD-UUUCSUBKSA-N | |
| SMILES: | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 26 | |
| Hydrogen bonds donors: | 15 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 7 | |
| Molecular Weight: | 938.1 | |
| Topological polar surface area: | 444 | |
| Number of aromatic rings: | 5 | |
| Fsp3: | 0.146 | |
| Number of carbons: | 41 | |