Glycoside
GD131892
Name:
{3,4,5-trihydroxy-6-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]oxan-2-yl}methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C26H40O10Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1OC(COC(=O)C2=CCC(C(C)(C)O)CC2)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.COC(=O)C1=CCC(C(C)(C)O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD04696
Formula: C11H18O3
Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
