Glycoside
GD021108
Name:
NoneFormula:
C12H16O8N2Smiles:
Cc1cn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n(CC(=O)O)c1=OAglycone:
Cc1c[nH]c(=O)n(CC(=O)O)c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.27 | Num_heavy_atoms: | 22 |
| TPSA: | 151.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD14479
Formula: C7H8O4N2
Smiles:
Cc1c[nH]c(=O)n(CC(=O)O)c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 92.16 | NumAromaticRings: | 1 |
