Glycoside
GD114120
Name:
NoneFormula:
C36H42O10S2Smiles:
CS(=O)(=O)OC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=OAglycone:
Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
CS(=O)(=O)OCC(OO)C(OO)C(OO)C(COO)OS(C)(=O)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 21 |
| MolWt: | 698.86 | Num_heavy_atoms: | 48 |
| TPSA: | 123.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
