Glycoside
GD022154
Name:
REHMAGLUTOSIDE HFormula:
C30H46O13Smiles:
CC(C=C[C@]1(O)C(C)(C)CC[C@H](O)[C@]1(C)O)=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)CCC(O)C1(C)O)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.69 | Num_heavy_atoms: | 43 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD15056
Formula: C24H36O8
Smiles:
CC(C=CC1(O)C(C)(C)CCC(O)C1(C)O)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.54 | Num_heavy_atoms: | 32 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
