Glycoside
GD016950
Name:
GORDONOSIDE BFormula:
C53H80O19Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)[C@@]2(CO)[C@H](OC(C)=O)C[C@@]3(C)C(=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]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 1021.2 | Num_heavy_atoms: | 72 |
| TPSA: | 294.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD12150
Formula: C42H64O9
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.96 | Num_heavy_atoms: | 51 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
