Glycoside
GD019530
Name:
NoneFormula:
C12H14O6N2Smiles:
CC#Cc1cn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.25 | Num_heavy_atoms: | 20 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD13626
Formula: C7H6O2N2
Smiles:
CC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
