Glycoside
GD151725
Name:
HalichoblelideFormula:
C54H86O19Smiles:
CCC1C(C)OC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C(=O)OC3OC(C)C(CC)C3OC3CC(O)C(O)C(C)O3)OC(=O)C=CC=CC2C)CC1OC1CC(O)C(O)C(C)O1Aglycone:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C(=O)O)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OC(O)CC(O)C1O.CCC1C(C)OC(O)C1OC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 1039.26 | Num_heavy_atoms: | 73 |
| TPSA: | 275.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD60476
Formula: C35H54O11
Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C(=O)O)OC(=O)C=CC=CC2C)OC1C| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.81 | Num_heavy_atoms: | 46 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
