Glycoside
GD049325
Name:
NoneFormula:
C14H17O6N3Smiles:
Oc1ccccc1-c1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(-c2ccccc2O)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 141.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD26122
Formula: C9H9ON3
Smiles:
Cn1cc(-c2ccccc2O)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
