Glycoside
GD126789
Name:
NoneFormula:
C36H61O16PSSmiles:
CC(=O)OC1CC2C3CC(OP(=O)(O)OC4OC(OC(C)=O)C(O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)CAglycone:
CC(=O)OC1CC2C3CC(OP(=O)(O)O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)CSugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 812.91 | Num_heavy_atoms: | 54 |
| TPSA: | 241.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD03697
Formula: C29H51O10PS
Smiles:
CC(=O)OC1CC2C3CC(OP(=O)(O)O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)C| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 622.76 | Num_heavy_atoms: | 41 |
| TPSA: | 156.66 | NumAromaticRings: | 0 |
