Glycoside
GD123609
Name:
3-hydroxy-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-oneFormula:
C19H26O8Smiles:
Cc1cc2c(cc1CCOC1OC(CO)C(O)C(O)C1O)C(=O)C(C)C2OAglycone:
Cc1cc2c(cc1CCO)C(=O)C(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD49898
Formula: C13H16O3
Smiles:
Cc1cc2c(cc1CCO)C(=O)C(C)C2O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.27 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
