Glycoside
GD108815
Name:
NoneFormula:
C27H24O10Cl2SSmiles:
O=C1C=C/C(=C(/c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c2ccccc2S(O)(O)O)C=C1ClAglycone:
O=C1C=CC(=C(c2ccc(O)c(Cl)c2)c2ccccc2S(O)(O)O)C=C1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 587.43 | Num_heavy_atoms: | 38 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD44464
Formula: C21H14O5Cl2S
Smiles:
O=C1C=CC(=C(c2ccc(O)c(Cl)c2)c2ccccc2S(O)(O)O)C=C1Cl| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.29 | Num_heavy_atoms: | 27 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
