Glycoside

GD120723
Name:
methyl 6-[(8-hydroxy-2,6-dimethylocta-2,6-dienoyl)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:
C27H40O12Smiles:
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: | 0.7 |
AlogP: | 0.07 | Num_rotatable_bonds: | 10 |
MolWt: | 556.61 | Num_heavy_atoms: | 39 |
TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD48528
Formula: C21H30O7
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(C)=CCCC(C)=CCO)C2CHBA: | 7 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.62 |
AlogP: | 2.24 | Num_rotatable_bonds: | 7 |
MolWt: | 394.46 | Num_heavy_atoms: | 28 |
TPSA: | 102.29 | NumAromaticRings: | 0 |