Glycoside
GD012868
Name:
NoneFormula:
C23H25O5ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc4c(c3)CCCS4)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc2c(c1)CCCS2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.96 | Num_heavy_atoms: | 29 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD09663
Formula: C17H15ClS
Smiles:
Clc1ccccc1Cc1ccc2c(c1)CCCS2| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.82 | Num_heavy_atoms: | 18 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
