Glycoside
GD120794
Name:
3-(2,2-dimethyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acidFormula:
C20H26O10Smiles:
CC1(C)CC(=O)c2cc(CCC(=O)O)c(OC3OC(CO)C(O)C(O)C3O)cc2O1Aglycone:
CC1(C)CC(=O)c2cc(CCC(=O)O)c(O)cc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD48568
Formula: C14H16O5
Smiles:
CC1(C)CC(=O)c2cc(CCC(=O)O)c(O)cc2O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
