Glycoside
GD150348
Name:
5-(2-hydroxyethyl)-2,4,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-inden-1-oneFormula:
C20H28O8Smiles:
Cc1cc2c(c(C)c1CCO)C(OC1OC(CO)C(O)C(O)C1O)C(C)C2=OAglycone:
Cc1cc2c(c(C)c1CCO)C(O)C(C)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD60064
Formula: C14H18O3
Smiles:
Cc1cc2c(c(C)c1CCO)C(O)C(C)C2=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
