Glycoside
GD151159
Name:
lonijaposide vFormula:
C28H37O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)C)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 595.6 | Num_heavy_atoms: | 42 |
| TPSA: | 212.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD60310
Formula: C22H27O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)C)C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 433.46 | Num_heavy_atoms: | 31 |
| TPSA: | 133.6 | NumAromaticRings: | 0 |
