Glycoside
GD023621
Name:
NoneFormula:
C25H27O5ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3c2CCS3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2ccc(C3CC3)cc2)ccc2c1SCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.0 | Num_heavy_atoms: | 31 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD15867
Formula: C19H17ClS
Smiles:
Clc1c(Cc2ccc(C3CC3)cc2)ccc2c1SCC2| HBA: | 0 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.85 | Num_heavy_atoms: | 20 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
