Glycoside
GD061140
Name:
NoneFormula:
C15H19O5N2ClSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(Cl)nc3c2CCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(Cl)nc2c1CCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.77 | Num_heavy_atoms: | 22 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD30029
Formula: C9H9N2Cl
Smiles:
Nc1cc(Cl)nc2c1CCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.63 | Num_heavy_atoms: | 11 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
