Glycoside
GD005854
Name:
NoneFormula:
C35H59O15PSSmiles:
CC(=O)O[C@@H]1C[C@@H]2[C@@H]3C[C@H](OP(=O)([O-])OC4OC(CO)C(O)C(O)C4O)C4C[C@H](OS(=O)(=O)[O-])CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1[C@H](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:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 782.88 | Num_heavy_atoms: | 52 |
| TPSA: | 241.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD04908
Formula: C29H49O10PS
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: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.74 | Num_heavy_atoms: | 41 |
| TPSA: | 162.32 | NumAromaticRings: | 0 |
