Glycoside
GD119002
Name:
1b-hydroxy-5a-methyl-9-[1-(4,5,6-trihydroxy-4,5-dimethyloxan-2-yl)ethyl]-1aH,1bH,2H,5H,5aH,5bH,6H,7H,11bH,11cH-chryseno[5,6-b]oxiren-5-oneFormula:
C28H36O7Smiles:
CC(c1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12C)C1CC(C)(O)C(C)(O)C(O)O1Aglycone:
CCc1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12CSugarmoiety:
CC1(O)CC(O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.59 | Num_heavy_atoms: | 35 |
| TPSA: | 119.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD47629
Formula: C21H24O3
Smiles:
CCc1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 324.42 | Num_heavy_atoms: | 24 |
| TPSA: | 49.83 | NumAromaticRings: | 1 |
