Glycoside
GD044711
Name:
NoneFormula:
C13H16O6N2Smiles:
CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)[nH]c1=OAglycone:
CC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 113.78 | 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 |
