Glycoside
GD004216
Name:
NoneFormula:
C13H17O6N3Smiles:
CC(=O)c1c(-c2nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]2)noc1CAglycone:
CC(=O)c1c(-c2ncc[nH]2)noc1CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.29 | Num_heavy_atoms: | 22 |
| TPSA: | 152.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD03712
Formula: C9H9O2N3
Smiles:
CC(=O)c1c(-c2ncc[nH]2)noc1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 71.78 | NumAromaticRings: | 2 |
