Glycoside
GD033251
Name:
NoneFormula:
C14H16O5N4Smiles:
COc1ncnc2c1c(C#N)cn2C1O[C@H](CO)[C@H](O)[C@]1(C)OAglycone:
COc1ncnc2c1C(C#N)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.31 | Num_heavy_atoms: | 23 |
| TPSA: | 133.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD21239
Formula: C8H5ON4
Smiles:
COc1ncnc2c1C(C#N)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.16 | Num_heavy_atoms: | 13 |
| TPSA: | 72.9 | NumAromaticRings: | 1 |
