Glycoside
GD048179
Name:
NoneFormula:
C12H17O7N3Smiles:
O=C(Nc1cnn2c1OCCC2)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1cnn2c1OCCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 154.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD25822
Formula: C6H9ON3
Smiles:
Nc1cnn2c1OCCC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 53.07 | NumAromaticRings: | 1 |
