Glycoside
GD005704
Name:
NoneFormula:
C19H18O6Cl2SSmiles:
OC[C@@H]1O[C@H](Oc2cccc(Cl)c2Cc2ccc(Cl)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cccc(Cl)c1Cc1ccc(Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.3 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD04805
Formula: C13H8OCl2S
Smiles:
Oc1cccc(Cl)c1Cc1ccc(Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.16 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
