Glycoside
GD001222
Name:
NoneFormula:
C17H24O10NBrSmiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@H]1C(=O)NCCCBrAglycone:
O=CNCCCBrSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.28 | Num_heavy_atoms: | 29 |
| TPSA: | 143.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD01269
Formula: C4H8ONBr
Smiles:
O=CNCCCBr| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 166.02 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
