Glycoside
GD080899
Name:
NoneFormula:
C16H19O7N4ClSmiles:
COC(=O)c1cc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc(Cl)nc2n1CAglycone:
COC(=O)c1cc2c(N)nc(Cl)nc2n1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.79 | Num_heavy_atoms: | 27 |
| TPSA: | 159.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD36524
Formula: C10H9O2N4Cl
Smiles:
COC(=O)c1cc2c(N)nc(Cl)nc2n1C| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.65 | Num_heavy_atoms: | 16 |
| TPSA: | 83.03 | NumAromaticRings: | 2 |
