Glycoside
GD034147
Name:
ACHYRODIMER BFormula:
C34H34O13Smiles:
COc1cc([C@H]2[C@@H](c3ccc(O)cc3)[C@@H](c3cc(OC)cc(=O)o3)[C@@H]2c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)oc(=O)c1Aglycone:
COc1cc(C2C(c3ccc(O)cc3)C(c3cc(OC)cc(=O)o3)C2c2ccc(O)cc2)oc(=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.63 | Num_heavy_atoms: | 47 |
| TPSA: | 198.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD17097
Formula: C28H24O8
Smiles:
COc1cc(C2C(c3ccc(O)cc3)C(c3cc(OC)cc(=O)o3)C2c2ccc(O)cc2)oc(=O)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.49 | Num_heavy_atoms: | 36 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
