Glycoside
GD001160
Name:
NoneFormula:
C13H14O5N4Smiles:
C[C@@]1(CO)OC(n2cc(C#N)c3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
N#CC1=C[N]c2ncnc(O)c21Sugarmoiety:
CC1(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.28 | Num_heavy_atoms: | 22 |
| TPSA: | 144.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD01207
Formula: C7H3ON4
Smiles:
N#CC1=C[N]c2ncnc(O)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.13 | Num_heavy_atoms: | 12 |
| TPSA: | 83.9 | NumAromaticRings: | 1 |
