Glycoside
GD106285
Name:
NoneFormula:
C25H39O14NSmiles:
CCO[C@@H]1[C@H]([C@H](O)CO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)O[C@@H]2OC(C)(C)O[C@@H]21Aglycone:
CCOC1C(C(O)CO)OC2OC(C)(C)OC21.COC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 577.58 | Num_heavy_atoms: | 40 |
| TPSA: | 183.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD40410
Formula: C11H20O6
Smiles:
CCOC1C(C(O)CO)OC2OC(C)(C)OC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.27 | Num_heavy_atoms: | 17 |
| TPSA: | 77.38 | NumAromaticRings: | 0 |
