Glycoside
GD082778
Name:
NoneFormula:
C18H20O7N4Smiles:
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COC(=O)C(C#N)c1nc2ccccc2nc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.38 | Num_heavy_atoms: | 29 |
| TPSA: | 178.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD37107
Formula: C12H10O2N4
Smiles:
COC(=O)C(C#N)c1nc2ccccc2nc1N| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.24 | Num_heavy_atoms: | 18 |
| TPSA: | 101.89 | NumAromaticRings: | 2 |
