Glycoside
GD048511
Name:
NoneFormula:
C13H17O6N3Smiles:
O=C(NC1(c2ncccn2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NC1(c2ncccn2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 311.29 | Num_heavy_atoms: | 22 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD25911
Formula: C7H9N3
Smiles:
NC1(c2ncccn2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
