Glycoside
GD029406
Name:
NoneFormula:
C25H29O7ClSSmiles:
[O-][S+]1CC(CCOc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1Aglycone:
[O-][S+]1CC(CCOc2ccc(Cc3ccccc3Cl)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 497.01 | Num_heavy_atoms: | 33 |
| TPSA: | 122.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD19132
Formula: C19H19O2ClS
Smiles:
[O-][S+]1CC(CCOc2ccc(Cc3ccccc3Cl)cc2)C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.87 | Num_heavy_atoms: | 22 |
| TPSA: | 32.29 | NumAromaticRings: | 2 |
