Glycoside
GD131847
Name:
[6-({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C18H28O7Smiles:
CC(=O)OCC1OC(OCC2=CCC3CC2C3(C)C)C(O)C(O)C1OAglycone:
CC1(C)C2CC=C(CO)C1C2.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.42 | Num_heavy_atoms: | 25 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
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 |
AD45669
Formula: C10H16O
Smiles:
CC1(C)C2CC=C(CO)C1C2| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.24 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
