Glycoside
GD035604
Name:
NoneFormula:
C24H28O10SSmiles:
C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(CC=C)ccc2OS(=O)(=O)O)c1Aglycone:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OS(=O)(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 508.55 | Num_heavy_atoms: | 35 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD22517
Formula: C18H18O5S
Smiles:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OS(=O)(=O)O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 346.4 | Num_heavy_atoms: | 24 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
