Glycoside
GD076469
Name:
NoneFormula:
C15H13O6N3Cl2Smiles:
N#Cc1c(Cl)cc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1ClAglycone:
N#Cc1c(Cl)cc(C(N)=O)nc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.17 | Num_heavy_atoms: | 24 |
| TPSA: | 155.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD35260
Formula: C9H3ON3Cl2
Smiles:
N#Cc1c(Cl)cc(C(N)=O)nc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.03 | Num_heavy_atoms: | 13 |
| TPSA: | 79.77 | NumAromaticRings: | 1 |
