Glycoside
GD031480
Name:
NoneFormula:
C23H27O6ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(OC4CCCC4)cc3)c(Cl)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1sccc1Cc1ccc(OC2CCCC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.97 | Num_heavy_atoms: | 30 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD20274
Formula: C17H17OClS
Smiles:
Clc1sccc1Cc1ccc(OC2CCCC2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.83 | Num_heavy_atoms: | 19 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
