Glycoside
GD010659
Name:
NoneFormula:
C12H13O6N2ClSmiles:
CC(=O)OC[C@@H]1O[C@H]([n+]2ccc(Cl)c([O-])n2)[C@H](O)[C@H]1OAglycone:
COC(C)=O.[O-]c1n[nH+]ccc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.69 | Num_heavy_atoms: | 20 |
| TPSA: | 115.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD05806
Formula: C5H3ON2Cl
Smiles:
[O-]c1n[nH+]ccc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.53 | Num_heavy_atoms: | 8 |
| TPSA: | 50.09 | NumAromaticRings: | 1 |
