Glycoside
GD113968
Name:
NoneFormula:
C31H36O7Smiles:
C=C[C@@H](OCc1ccc(OC)cc1)[C@@](COCc1ccc(OC)cc1)(COC(C)=O)OCc1ccccc1Aglycone:
COc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccccc1Sugarmoiety:
C=CC(OO)C(COO)(COC(C)=O)OOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 16 |
| MolWt: | 520.62 | Num_heavy_atoms: | 38 |
| TPSA: | 72.45 | NumAromaticRings: | 3 |
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 |
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
