Glycoside
GD146750
Name:
Hoodigoside MFormula:
C53H88O25Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(COC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)CCC43O)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 16 |
| MolWt: | 1125.26 | Num_heavy_atoms: | 78 |
| TPSA: | 373.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46291
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD07610
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O