Glycoside
GD080868
Name:
NoneFormula:
C16H23O9N3Smiles:
CCOC(=O)c1cnc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1C(=O)OCCAglycone:
CCOC(=O)c1cnc(N)nc1C(=O)OCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.37 | Num_heavy_atoms: | 28 |
| TPSA: | 180.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD36509
Formula: C10H13O4N3
Smiles:
CCOC(=O)c1cnc(N)nc1C(=O)OCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 239.23 | Num_heavy_atoms: | 17 |
| TPSA: | 104.4 | NumAromaticRings: | 1 |
