Glycoside

GD151434
Name:
4,5-dihydroxy-2-[7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C28H30O11Smiles:
Cc1cc(O)c(C2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)c2oc(CC(C)O)cc(=O)c12Aglycone:
Cc1cc(O)cc2oc(CC(C)O)cc(=O)c12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.36 |
AlogP: | 1.22 | Num_rotatable_bonds: | 7 |
MolWt: | 542.54 | Num_heavy_atoms: | 39 |
TPSA: | 187.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
MolWt: | 164.16 | Num_heavy_atoms: | 12 |
TPSA: | 57.53 | NumAromaticRings: | 1 |
AD45140
Formula: C13H14O4
Smiles:
Cc1cc(O)cc2oc(CC(C)O)cc(=O)c12HBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.31 |
AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
MolWt: | 234.25 | Num_heavy_atoms: | 17 |
TPSA: | 70.67 | NumAromaticRings: | 2 |