Glycoside
GD045037
Name:
NoneFormula:
C13H17O5N3Smiles:
Cc1c(C#N)ccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1c(C#N)ccnc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.3 | Num_heavy_atoms: | 21 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25167
Formula: C7H7N3
Smiles:
Cc1c(C#N)ccnc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
