Glycoside
GD004825
Name:
3,3',4,4',8,9-Hexahydroxy-7,9'-Epoxylignan; (7R,8S,8'S)-Form, 3,3'-Di-Me Ether, 4'-O-β-D-GlucopyranosideFormula:
C26H34O12Smiles:
COc1cc([C@@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@]2(O)CO)ccc1OAglycone:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2(O)CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD04165
Formula: C20H24O7
Smiles:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2(O)CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
