Glycoside
GD092829
Name:
BaicalinFormula:
C21H18O11Smiles:
O=C(O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 187.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02851
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
