Glycoside
GD137083
Name:
7-{[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]methyl}-1-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C26H38O12Smiles:
COC1OC(OC2OC=C(C(=O)O)C3CC=C(COC(=O)C(C)=CCCC(C)CCO)C23)C(O)C(O)C1OAglycone:
CC(=CCCC(C)CCO)C(=O)OCC1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55398
Formula: C20H28O7
Smiles:
CC(=CCCC(C)CCO)C(=O)OCC1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
