Glycoside

GD143131
Name:
(6-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C36H42O14Smiles:
COc1ccc(C=CC(=O)OCC2OC(OC(CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)C(O)C(O)C2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(OC)c(OC)c1.O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.39 |
AlogP: | 2.5 | Num_rotatable_bonds: | 16 |
MolWt: | 698.72 | Num_heavy_atoms: | 50 |
TPSA: | 221.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD02197
Formula: C19H22O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1HBA: | 6 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.32 |
AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
MolWt: | 346.38 | Num_heavy_atoms: | 25 |
TPSA: | 118.22 | NumAromaticRings: | 2 |
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1HBA: | 4 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.25 |
AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
MolWt: | 222.24 | Num_heavy_atoms: | 16 |
TPSA: | 44.76 | NumAromaticRings: | 1 |