Glycoside
GD029920
Name:
NoneFormula:
C20H36O11N2Smiles:
CO[C@@H]1[C@H](CO)O[C@H](OCCC(C)=CC(=O)N(O)CCC[C@H](C(=O)O)[N+](C)(C)[O-])[C@H](O)[C@H]1OAglycone:
CC(=CC(=O)N(O)CCCC(C(=O)O)[N+](C)(C)[O-])CCOSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 480.51 | Num_heavy_atoms: | 33 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD19408
Formula: C13H24O6N2
Smiles:
CC(=CC(=O)N(O)CCCC(C(=O)O)[N+](C)(C)[O-])CCO| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 304.34 | Num_heavy_atoms: | 21 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
