Glycoside
GD156451
Name:
Hoodigoside XFormula:
C42H68O14Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 181.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD57772
Formula: C21H32O4
Smiles:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
