Glycoside
GD034325
Name:
NoneFormula:
C11H14O5N4Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@@]1(C#N)n1ccc(N)nc1=OAglycone:
Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)C(CO)OC1(O)C#NOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 154.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
