Glycoside
GD002700
Name:
DEMETHYL LONIJAPOSIDE AFormula:
C26H31O13NSmiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C=Cc1cc(C(=O)[O-])c[n+](CCCC(=O)O)c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)[O-])c[n+](CCCC(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 565.53 | Num_heavy_atoms: | 40 |
| TPSA: | 227.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD02545
Formula: C20H21O8N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)[O-])c[n+](CCCC(=O)O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 403.39 | Num_heavy_atoms: | 29 |
| TPSA: | 148.07 | NumAromaticRings: | 1 |
