Glycoside
GD005328
Name:
NoneFormula:
C11H13O5N3Smiles:
C#Cc1cn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)nc1NAglycone:
C#Cc1c[nH]c(=O)nc1NSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.24 | Num_heavy_atoms: | 19 |
| TPSA: | 130.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD04543
Formula: C6H5ON3
Smiles:
C#Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
