Glycoside
GD019336
Name:
1,1',3',4,6,6',7',8-octahydroxy-2'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H-[2,4'-bixanthene]-9,9'-dioneFormula:
C32H24O17Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.19 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 680.53 | Num_heavy_atoms: | 49 |
| TPSA: | 312.41 | NumAromaticRings: | 6 |
Unique Aglycone
AD13514
Formula: C26H14O12
Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)cc(O)c12| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 518.39 | Num_heavy_atoms: | 38 |
| TPSA: | 222.26 | NumAromaticRings: | 6 |
