Glycoside
GD030413
Name:
NoneFormula:
C25H27O6ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(SC4CC4)cc3)c(Cl)c3c2CCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2ccc(SC3CC3)cc2)ccc2c1OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.99 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD19680
Formula: C19H17OClS
Smiles:
Clc1c(Cc2ccc(SC3CC3)cc2)ccc2c1OCC2| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.85 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
