Glycoside
GD086023
Name:
NoneFormula:
C21H26O9Smiles:
CC(=O)OC[C@@H]1O[C@](COC(C)=O)(c2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.Cc1ccccc1Sugarmoiety:
CC(=O)OC1OOC(O)C1OC(C)=O.COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 114.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
