Glycoside
GD115875
Name:
[2Ar-(2Aalpha,3Beta,4Alpha,7Balpha)]-3-(Beta-D-Gucopyranosyloxy)-2A,3,4,4A,5,7B-Hexahydro-4A-Hydroxy-4-Methyl-1H-2,6-Dioxacyclopent[Cd]Inden-1-OneFormula:
C16H22O10Smiles:
CC1C(OC2OC(CO)C(O)C(O)C2O)C2OC(=O)C3=COCC1(O)C32Aglycone:
CC1C(O)C2OC(=O)C3=COCC1(O)C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45918
Formula: C10H12O5
Smiles:
CC1C(O)C2OC(=O)C3=COCC1(O)C32| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
