Glycoside
GD033395
Name:
NoneFormula:
C25H29O6ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCCC4CSC4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(OCCC2CSC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.01 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD21312
Formula: C19H19OClS
Smiles:
Clc1ccccc1Cc1ccc(OCCC2CSC2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.87 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
