Glycoside
GD024395
Name:
SYMPLOCOSOSIDE OFormula:
C59H92O22Smiles:
CC(=O)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)C[C@H](OC(=O)C=C(C)CCC=C(C)C)[C@@]5(CO)[C@H](O)[C@H](O)[C@]34C)C2(C)C)O[C@@H](C(=O)O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12COSugarmoiety:
CC(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)OC(C(=O)O)C1OC1OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.85 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 16 |
| MolWt: | 1153.36 | Num_heavy_atoms: | 81 |
| TPSA: | 347.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD01541
Formula: C40H64O6
Smiles:
CC(C)=CCCC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 7.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.95 | Num_heavy_atoms: | 46 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
