Glycoside
GD013906
Name:
NoneFormula:
C40H44O18Smiles:
OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2[C@H]2[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2C(c3cc(O)cc(O)c3O)C(c3ccc(O)cc3)C2c2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 812.77 | Num_heavy_atoms: | 58 |
| TPSA: | 320.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD10308
Formula: C28H24O8
Smiles:
Oc1ccc(C2C(c3cc(O)cc(O)c3O)C(c3ccc(O)cc3)C2c2cc(O)cc(O)c2O)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.14 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.49 | Num_heavy_atoms: | 36 |
| TPSA: | 161.84 | NumAromaticRings: | 4 |
