Glycoside
GD034931
Name:
Acacetin 7-(6''-Methylglucuronide)Formula:
C23H22O11Smiles:
COC(=O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 165.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
