Glycoside

GD115914
Name:
(6-{[1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoateFormula:
C37H46O14Smiles:
COc1cc(C=CC(=O)OCC2OC(OC(CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.43 |
AlogP: | 3.33 | Num_rotatable_bonds: | 17 |
MolWt: | 714.76 | Num_heavy_atoms: | 51 |
TPSA: | 214.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD01667
Formula: C19H24O5
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1OHBA: | 5 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.37 |
AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
MolWt: | 332.4 | Num_heavy_atoms: | 24 |
TPSA: | 101.15 | NumAromaticRings: | 2 |
AD17795
Formula: C13H16O5
Smiles:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1HBA: | 5 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.31 |
AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
MolWt: | 252.27 | Num_heavy_atoms: | 18 |
TPSA: | 53.99 | NumAromaticRings: | 1 |