Glycoside
GD128206
Name:
Hoodigoside BFormula:
C47H74O16Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5OC(C)C(OC6OC(C)C(O)C(OC)C6O)C(OC)C5O)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(C)C(O)C(OC)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 895.09 | Num_heavy_atoms: | 63 |
| TPSA: | 207.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD44861
Formula: C26H38O5
Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.59 | Num_heavy_atoms: | 31 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
