Glycoside
GD011777
Name:
NoneFormula:
C12H15O7N3Smiles:
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@](O)(C#N)[C@H]2O)c(=O)nc1OAglycone:
Cc1c[nH]c(=O)nc1OSugarmoiety:
N#CC1(O)C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.27 | Num_heavy_atoms: | 22 |
| TPSA: | 169.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
