Glycoside

GD149840
Name:
3-{4-hydroxy-2-[3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-en-1-yl]-3-methoxyphenyl}prop-2-enoic acidFormula:
C25H28O11Smiles:
COc1c(O)ccc(C=CC(=O)O)c1C(C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
COc1c(O)ccc(C=CC(=O)O)c1C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.32 |
AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
MolWt: | 504.49 | Num_heavy_atoms: | 36 |
TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD59895
Formula: C19H18O6
Smiles:
COc1c(O)ccc(C=CC(=O)O)c1C(O)C=Cc1ccc(O)cc1HBA: | 6 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.11 |
AlogP: | 2.95 | Num_rotatable_bonds: | 6 |
MolWt: | 342.35 | Num_heavy_atoms: | 25 |
TPSA: | 107.22 | NumAromaticRings: | 2 |