Glycoside
GD146626
Name:
2,2,5,7-tetraethyl-6-(2-hydroxyethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-inden-1-oneFormula:
C25H38O8Smiles:
CCc1cc2c(c(CC)c1CCO)C(=O)C(CC)(CC)C2OC1OC(CO)C(O)C(O)C1OAglycone:
CCc1cc2c(c(CC)c1CCO)C(=O)C(CC)(CC)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 466.57 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD58774
Formula: C19H28O3
Smiles:
CCc1cc2c(c(CC)c1CCO)C(=O)C(CC)(CC)C2O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.43 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
