Glycoside
GD017672
Name:
NoneFormula:
C22H22O6N3ClSmiles:
Cc1cnc(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)nn2)o1Aglycone:
Cc1cnc(-c2ccc(Cc3ccccc3Cl)nn2)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.88 | Num_heavy_atoms: | 31 |
| TPSA: | 141.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD12591
Formula: C16H12ON3Cl
Smiles:
Cc1cnc(-c2ccc(Cc3ccccc3Cl)nn2)o1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.73 | Num_heavy_atoms: | 20 |
| TPSA: | 51.81 | NumAromaticRings: | 3 |
