Glycoside
GD131669
Name:
Sokodoside BFormula:
C41H62O16Smiles:
CC(C)C1=CC=C2C3=C(CCC21C)C1(C)CCC(OC2OCC(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3Aglycone:
CC(C)C1=CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
O=C(O)C1OC(OC2C(O)COC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 810.93 | Num_heavy_atoms: | 57 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53326
Formula: C24H36O
Smiles:
CC(C)C1=CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 340.55 | Num_heavy_atoms: | 25 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
