Glycoside
GD003939
Name:
NoneFormula:
C28H34O17Smiles:
COc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OC)cc4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
COC(=O)c1ccc(OC)cc1O.COC(=O)c1ccc(OC)cc1OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 642.56 | Num_heavy_atoms: | 45 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD03506
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(OC)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
