Glycoside
GD060164
Name:
NoneFormula:
C16H21O5N2ClSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(Cl)nc3c2CCCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(Cl)nc2c1CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.8 | Num_heavy_atoms: | 23 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD29738
Formula: C10H11N2Cl
Smiles:
Nc1cc(Cl)nc2c1CCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.65 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
