Glycoside
GD024350
Name:
JAVANICOSIDE EFormula:
C36H50O18Smiles:
COC(=O)[C@]12OC[C@@]34[C@H](C[C@@H]5[C@H](C)C(=O)C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)=C[C@@]5(C)[C@H]3[C@H](O)[C@H]1O)OC(=O)[C@@H](OC(=O)CC(C)C(C)(C)OC(C)=O)[C@@H]24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C(C)(C)OC(C)=O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 770.78 | Num_heavy_atoms: | 54 |
| TPSA: | 271.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD16268
Formula: C30H40O13
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C(C)(C)OC(C)=O)C24| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 192.19 | NumAromaticRings: | 0 |
