Glycoside
GD111113
Name:
NoneFormula:
C22H22O9Cl2SSmiles:
CC(=O)OC[C@H]1O[C@@H](Sc2cc(Cl)ccc2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Sc1cc(Cl)ccc1ClSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.36 | Num_heavy_atoms: | 32 |
| TPSA: | 114.43 | 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 |
AD30281
Formula: C8H4Cl2S
Smiles:
Sc1cc(Cl)ccc1Cl| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.07 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
