Glycoside
GD155232
Name:
2-[4-(but-1-en-1-yl)-3-[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H48O16Smiles:
CCC=Cc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1CC=Cc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
CCC=Cc1cc(OC)c(O)c(OC)c1CC=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 15 |
| MolWt: | 724.75 | Num_heavy_atoms: | 51 |
| TPSA: | 235.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD61587
Formula: C23H28O6
Smiles:
CCC=Cc1cc(OC)c(O)c(OC)c1CC=Cc1cc(OC)c(O)c(OC)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 400.47 | Num_heavy_atoms: | 29 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
