Glycoside
GD007400
Name:
NoneFormula:
C21H25O5N2ClSmiles:
CCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CCCc1ccc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.88 | Num_heavy_atoms: | 28 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD06031
Formula: C15H15N2Cl
Smiles:
CCCc1ccc(Cc2ccccc2Cl)nn1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.74 | Num_heavy_atoms: | 17 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
