Glycoside
GD013306
Name:
NoneFormula:
C24H30O12SSmiles:
C=CC(O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(C(O)CC)ccc2OS(=O)(=O)O)c1Aglycone:
C=CC(O)c1ccc(O)c(-c2cc(C(O)CC)ccc2OS(=O)(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.56 | Num_heavy_atoms: | 37 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD09948
Formula: C18H20O7S
Smiles:
C=CC(O)c1ccc(O)c(-c2cc(C(O)CC)ccc2OS(=O)(=O)O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.42 | Num_heavy_atoms: | 26 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
