Glycoside
GD036995
Name:
NoneFormula:
C25H29O7ClSSmiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H]([S+](C)[O-])[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CC(C)O3)cc1Aglycone:
CCOc1ccc(Cc2ccc3c(c2Cl)CC(C)O3)cc1Sugarmoiety:
C[S+](O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.01 | Num_heavy_atoms: | 33 |
| TPSA: | 111.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD08419
Formula: C19H19O2Cl
Smiles:
CCOc1ccc(Cc2ccc3c(c2Cl)CC(C)O3)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.8 | Num_heavy_atoms: | 21 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
