Glycoside
GD008479
Name:
NoneFormula:
C22H21O6N3Cl2Smiles:
Cc1cc2nn(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)c(=O)n2cc1ClAglycone:
Cc1cc2nn(Cc3ccccc3Cl)c(=O)n2cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.31 | Num_heavy_atoms: | 31 |
| TPSA: | 129.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD06766
Formula: C16H11ON3Cl2
Smiles:
Cc1cc2nn(Cc3ccccc3Cl)c(=O)n2cc1Cl| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.17 | Num_heavy_atoms: | 20 |
| TPSA: | 39.3 | NumAromaticRings: | 3 |
