Glycoside
GD119351
Name:
lonijaposide qFormula:
C26H34O12N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=N)O)C1C=CC1=CC=CN(C(CCC(=O)O)C(=O)O)C1Aglycone:
C=CC1C(O)OC=C(C(=N)O)C1C=CC1=CC=CN(C(CCC(=O)O)C(=O)O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 230.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD47798
Formula: C20H24O7N2
Smiles:
C=CC1C(O)OC=C(C(=N)O)C1C=CC1=CC=CN(C(CCC(=O)O)C(=O)O)C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 151.38 | NumAromaticRings: | 0 |
