Glycoside
GD031565
Name:
NoneFormula:
C22H22O10Smiles:
O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](OC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
