Glycoside
GD024033
Name:
NoneFormula:
C23H23O6N2ClSmiles:
OC[C@@H]1O[C@H](Oc2cccc(Cl)c2Cc2cnn(-c3ccccc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cccc(Cl)c1Cc1cnn(-c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.89 | Num_heavy_atoms: | 31 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD16091
Formula: C17H13ON2Cl
Smiles:
Oc1cccc(Cl)c1Cc1cnn(-c2ccccc2)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.75 | Num_heavy_atoms: | 20 |
| TPSA: | 38.05 | NumAromaticRings: | 3 |
