Glycoside
GD114518
Name:
Hoodigoside JFormula:
C59H94O22Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(O)C(OC7CC(OC)C(OC8OC(CO)C(O)C(O)C8O)C(C)O7)C(C)O6)C(C)O5)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)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 17 |
| MolWt: | 1155.38 | Num_heavy_atoms: | 81 |
| TPSA: | 284.74 | 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 |
Sugarmoiety
SD02553
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1