Glycoside
GD018377
Name:
LONIJAPOSIDE HFormula:
C27H33O13NSmiles:
C=C[C@@H]1C(=CCc2cc(C(=O)[O-])c[n+](CCCC(=O)O)c2)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1C(=CCc2cc(C(=O)[O-])c[n+](CCCC(=O)O)c2)C(C(=O)OC)=COC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 579.56 | Num_heavy_atoms: | 41 |
| TPSA: | 216.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD12977
Formula: C21H23O8N
Smiles:
C=CC1C(=CCc2cc(C(=O)[O-])c[n+](CCCC(=O)O)c2)C(C(=O)OC)=COC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 417.41 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
