Glycoside
GD104819
Name:
NoneFormula:
C22H23O9NCl2Smiles:
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(Cl)cc1ClAglycone:
COC(C)=O.Oc1ccc(Cl)cc1ClSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.31 | Num_heavy_atoms: | 32 |
| TPSA: | 126.46 | 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 |
AD30273
Formula: C8H4OCl2
Smiles:
Oc1ccc(Cl)cc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.0 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
