Glycoside
GD117850
Name:
4-(carboxymethyl)-3-ethenyl-2-[(3,4,5-trihydroxy-6-{[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C26H38O13Smiles:
C=CC1C(OC2OC(COC(=O)C(C)=CCCC(C)CCO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O.COC(=O)C(C)=CCCC(C)CCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD20061
Formula: C10H12O6
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD47048
Formula: C11H20O3
Smiles:
COC(=O)C(C)=CCCC(C)CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 200.28 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
