Glycoside
GD024057
Name:
NoneFormula:
C22H21O6ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3cc4ccccc4s3)c(Cl)cc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Cc2cc3ccccc3s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.91 | Num_heavy_atoms: | 29 |
| TPSA: | 110.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD16102
Formula: C16H11OClS
Smiles:
Oc1ccc(Cc2cc3ccccc3s2)c(Cl)c1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.77 | Num_heavy_atoms: | 18 |
| TPSA: | 20.23 | NumAromaticRings: | 3 |
