Glycoside
GD019681
Name:
GORDONOSIDE JFormula:
C57H90O25Smiles:
CC=C(C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)[C@H](O)[C@H](O)[C@]12COAglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 1175.32 | Num_heavy_atoms: | 82 |
| TPSA: | 400.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD03041
Formula: C35H56O6
Smiles:
CC=C(C)C(=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: | 0.86 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 572.83 | Num_heavy_atoms: | 41 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
