Glycoside
GD108105
Name:
NoneFormula:
C22H24O10NClSSmiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)Oc1ccc(Cl)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 517.94 | Num_heavy_atoms: | 34 |
| TPSA: | 135.69 | 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 |
AD44401
Formula: C8H6ONClS
Smiles:
NC(=S)Oc1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.65 | Num_heavy_atoms: | 11 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
