Glycoside

GD155463
Name:
methyl 4a,7-dihydroxy-7-methyl-6-(propanoyloxy)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C20H30O13Smiles:
CCC(=O)OC1CC2(O)C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1(C)OAglycone:
CCC(=O)OC1CC2(O)C(C(=O)OC)=COC(O)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.8 |
AlogP: | -2.96 | Num_rotatable_bonds: | 6 |
MolWt: | 478.45 | Num_heavy_atoms: | 33 |
TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD61670
Formula: C14H20O8
Smiles:
CCC(=O)OC1CC2(O)C(C(=O)OC)=COC(O)C2C1(C)OHBA: | 8 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.71 |
AlogP: | -0.78 | Num_rotatable_bonds: | 3 |
MolWt: | 316.31 | Num_heavy_atoms: | 22 |
TPSA: | 122.52 | NumAromaticRings: | 0 |