Glycoside
GD130098
Name:
12-{[6-({[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetateFormula:
C31H50O13Smiles:
CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCOC1OC(COC2OC(C)C(O)C(O)C2OC(C)=O)C(O)C(O)C1OAglycone:
CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 630.73 | Num_heavy_atoms: | 44 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52708
Formula: C17H28O3
Smiles:
CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 280.41 | Num_heavy_atoms: | 20 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
