Glycoside
GD054368
Name:
NoneFormula:
C13H16O6N3ClSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3c2COC3)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(Cl)nc2c1COC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.73 | Num_heavy_atoms: | 22 |
| TPSA: | 137.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD27717
Formula: C7H6ON3Cl
Smiles:
Nc1nc(Cl)nc2c1COC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 171.59 | Num_heavy_atoms: | 11 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
