Glycoside
GD008412
Name:
NoneFormula:
C23H25O7ClSSmiles:
COc1cc([C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)cc(Cc2ccc3c(c2)OCCO3)c1ClAglycone:
COc1cccc(Cc2ccc3c(c2)OCCO3)c1ClSugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.96 | Num_heavy_atoms: | 31 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD06720
Formula: C17H15O3Cl
Smiles:
COc1cccc(Cc2ccc3c(c2)OCCO3)c1Cl| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.75 | Num_heavy_atoms: | 20 |
| TPSA: | 27.69 | NumAromaticRings: | 2 |
