Glycoside
GD138182
Name:
1-({4,5-dihydroxy-3-[(8-hydroxy-2,6-dimethylocta-2,6-dienoyl)oxy]-6-(hydroxymethyl)oxan-2-yl}oxy)-4-formyl-4a-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C36H52O14Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C(OC2OC=C(C=O)C3(O)CCC(C)(OC(=O)C(C)=CCCC(C)=CCO)C23)OC(CO)C(O)C1OAglycone:
CC(=CCO)CCC=C(C)C(=O)O.CC(=CCO)CCC=C(C)C(=O)OC1(C)CCC2(O)C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 16 |
| MolWt: | 708.8 | Num_heavy_atoms: | 50 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD21716
Formula: C10H16O3
Smiles:
CC(=CCO)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD54142
Formula: C20H28O7
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1(C)CCC2(O)C(C=O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
