Glycoside
GD022876
Name:
OROXYLIN A GLUCURONIDEFormula:
C22H20O11Smiles:
COc1c(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.39 | Num_heavy_atoms: | 33 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD15453
Formula: C16H12O5
Smiles:
COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O| 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 |
