Glycoside
GD012061
Name:
NoneFormula:
C10H16O5N2Smiles:
CO[C@H](c1c[nH]c(C(C)=O)n1)[C@H](O)[C@H](O)COAglycone:
CC(=O)c1ncc[nH]1Sugarmoiety:
COC(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 244.25 | Num_heavy_atoms: | 17 |
| TPSA: | 115.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD09119
Formula: C5H6ON2
Smiles:
CC(=O)c1ncc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.12 | Num_heavy_atoms: | 8 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
