Glycoside
GD138421
Name:
2,5-dihydroxy-3-({2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]butanoyl}oxy)-6-methyloxan-4-yl heptanoateFormula:
C33H44O10Smiles:
CCCCCCC(=O)OC1C(O)C(C)OC(O)C1OC(=O)C(=Cc1ccc(O)c(OC)c1)CCc1cccc(CCO)c1Aglycone:
CCCCCCC(=O)O.COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 15 |
| MolWt: | 600.71 | Num_heavy_atoms: | 43 |
| TPSA: | 151.98 | 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 |
AD46878
Formula: C20H22O5
Smiles:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
