Glycoside
GD047814
Name:
NoneFormula:
C13H18O5N3ClSmiles:
Cc1c(Cl)nnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1CAglycone:
Cc1c(N)nnc(Cl)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.75 | Num_heavy_atoms: | 21 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD25681
Formula: C7H8N3Cl
Smiles:
Cc1c(N)nnc(Cl)c1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 157.6 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
