Glycoside
GD035311
Name:
NoneFormula:
C24H30O11SSmiles:
C=CC(O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(CCC)ccc2OS(=O)(=O)O)c1Aglycone:
C=CC(O)c1ccc(O)c(-c2cc(CCC)ccc2OS(=O)(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 526.56 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD22356
Formula: C18H20O6S
Smiles:
C=CC(O)c1ccc(O)c(-c2cc(CCC)ccc2OS(=O)(=O)O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.42 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
