Glycoside
GD028586
Name:
NoneFormula:
C24H28O11SSmiles:
C=CCc1ccc(OS(=O)(=O)O)c(-c2cc(C(O)C=C)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
C=CCc1ccc(OS(=O)(=O)O)c(-c2cc(C(O)C=C)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.54 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD18664
Formula: C18H18O6S
Smiles:
C=CCc1ccc(OS(=O)(=O)O)c(-c2cc(C(O)C=C)ccc2O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.4 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
