Glycoside

GD137820
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-hydroxyphenyl)prop-2-enoateFormula:
C24H30O13Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(O)C(O)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.54 |
AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
MolWt: | 526.49 | Num_heavy_atoms: | 37 |
TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD55661
Formula: C18H20O8
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(O)C(O)C2C=COC(O)C21HBA: | 8 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.39 |
AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
MolWt: | 364.35 | Num_heavy_atoms: | 26 |
TPSA: | 136.68 | NumAromaticRings: | 1 |