Glycoside
GD124569
Name:
methyl 6-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H42O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C(C)=CCCC(C)CCO)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(C)=CCCC(C)CCO)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50334
Formula: C21H32O7
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(C)=CCCC(C)CCO)C2C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
