Glycoside
GD120362
Name:
2,5-dihydroxy-3-({6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]hexanoyl}oxy)-6-(hydroxymethyl)oxan-4-yl heptanoateFormula:
C35H48O12Smiles:
CCCCCCC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)C(=Cc1ccc(O)c(OC)c1)CC(CCO)c1cccc(CCO)c1Aglycone:
CCCCCCC(=O)O.COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 18 |
| MolWt: | 660.76 | Num_heavy_atoms: | 47 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD03255
Formula: C7H14O2
Smiles:
CCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD48346
Formula: C22H26O6
Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
