Glycoside
GD010689
Name:
NoneFormula:
C17H22O8N2Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3cc(C(=O)O)ccc3n2C)[C@H]1OAglycone:
Cn1c(CO)nc2cc(C(=O)O)ccc21Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 143.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD08223
Formula: C10H10O3N2
Smiles:
Cn1c(CO)nc2cc(C(=O)O)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.35 | NumAromaticRings: | 2 |
