Glycoside
GD019123
Name:
REHMAGLUTOSIDE IFormula:
C36H56O17Smiles:
CC(C=C[C@]1(O)C(C)(C)CCC[C@]1(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=CC(=O)O[C@@H]1C[C@@](C)(O)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12Aglycone:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 760.83 | Num_heavy_atoms: | 53 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD07198
Formula: C24H36O7
Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.55 | Num_heavy_atoms: | 31 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
