Glycoside
GD132691
Name:
GoniothalesacetateFormula:
C17H22O7Smiles:
COC(=O)CC(OC)C1OC(c2ccccc2)C(O)C1OC(C)=OAglycone:
COCCC(=O)OC.c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.36 | Num_heavy_atoms: | 24 |
| TPSA: | 91.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD02938
Formula: C6H6
Smiles:
c1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 78.11 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD53721
Formula: C5H10O3
Smiles:
COCCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
