Glycoside
GD152696
Name:
Isoaspinonene
Formula:
C9H16O4
Smiles:
CC(O)C=CC1(O)COC(C)C1O
Aglycone:
C=CC(C)O
Sugarmoiety:
CC(O)O.CC1OOOC1O
Other Identifiers
Properties
| HBA: |
4 |
RingCount: |
1 |
| HBD: |
3 |
FractionCSP3: |
0.78 |
| AlogP: |
-0.57 |
Num_rotatable_bonds: |
2 |
| MolWt: |
188.22 |
Num_heavy_atoms: |
13 |
| TPSA: |
69.92 |
NumAromaticRings: |
0 |
Unique Aglycone
Formula: C4H8O
Smiles:
C=CC(C)O
| HBA: |
1 |
RingCount: |
0 |
| HBD: |
1 |
FractionCSP3: |
0.5 |
| AlogP: |
0.55 |
Num_rotatable_bonds: |
1 |
| MolWt: |
72.11 |
Num_heavy_atoms: |
5 |
| TPSA: |
20.23 |
NumAromaticRings: |
0 |
