Glycoside
GD012231
Name:
NoneFormula:
C11H15O8N3Smiles:
NC(=O)COc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
NC(=O)COc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 317.25 | Num_heavy_atoms: | 22 |
| TPSA: | 177.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD09237
Formula: C6H7O4N3
Smiles:
NC(=O)COc1c[nH]c(=O)[nH]c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.14 | Num_heavy_atoms: | 13 |
| TPSA: | 118.04 | NumAromaticRings: | 1 |
