Glycoside
GD158365
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-(butan-2-yl)-2-hydroxy-4-methylidene-6-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hexanoateFormula:
C36H50O15Smiles:
C=C(CCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)CC(O)(C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(C)CCAglycone:
C=C(CCc1ccc(O)cc1)CC(O)(C(=O)OCc1ccc(O)cc1)C(C)CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 16 |
| MolWt: | 722.78 | Num_heavy_atoms: | 51 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD62521
Formula: C24H30O5
Smiles:
C=C(CCc1ccc(O)cc1)CC(O)(C(=O)OCc1ccc(O)cc1)C(C)CC| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
