Glycoside
GD061100
Name:
NoneFormula:
C15H16O5N3ClSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3cc(Cl)ccc23)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2cc(Cl)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.75 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD30004
Formula: C9H6N3Cl
Smiles:
Nc1ncnc2cc(Cl)ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.61 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
