Glycoside
GD128245
Name:
6alpha-o-[beta-d-fucopyranosyl-(1-2)-beta-d-galactopyranosyl-(1-4)-[beta-+Formula:
C54H88O28SSmiles:
CC(=O)CC(C)C1CCC2C3CC(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CAglycone:
CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 17 |
| MolWt: | 1217.34 | Num_heavy_atoms: | 83 |
| TPSA: | 435.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD51950
Formula: C24H38O6S
Smiles:
CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.63 | Num_heavy_atoms: | 31 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
Sugarmoiety
SD04500
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O