Glycoside
GD146035
Name:
3-(hydroxymethyl)-5,5-dimethyl-4-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl)cyclohex-2-en-1-oneFormula:
C25H42O13Smiles:
CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)CCC1C(CO)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.6 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47820
Formula: C13H22O3
Smiles:
CC(O)CCC1C(CO)=CC(=O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
