Glycoside
GD136693
Name:
1-[3-(3-hydroxy-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl] 5-methyl 3-hydroxy-3-methylpentanedioateFormula:
C23H32O13Smiles:
COC(=O)CC(C)(O)CC(=O)OCC=Cc1cc(O)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COC(=O)CC(C)(O)CC(=O)OCC=Cc1cc(O)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD55258
Formula: C17H22O8
Smiles:
COC(=O)CC(C)(O)CC(=O)OCC=Cc1cc(O)c(O)c(OC)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
