Glycoside

GD147954
Name:
(5,6,7-trihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C25H32O13Smiles:
COc1ccc(C=CC(=O)OCC2(O)C(O)C(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C32)cc1Aglycone:
COc1ccc(C=CC(=O)OCC2(O)C(O)C(O)C3C=COC(O)C32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.56 |
AlogP: | -2.36 | Num_rotatable_bonds: | 8 |
MolWt: | 540.52 | Num_heavy_atoms: | 38 |
TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD59225
Formula: C19H22O8
Smiles:
COc1ccc(C=CC(=O)OCC2(O)C(O)C(O)C3C=COC(O)C32)cc1HBA: | 8 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.42 |
AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
MolWt: | 378.38 | Num_heavy_atoms: | 27 |
TPSA: | 125.68 | NumAromaticRings: | 1 |