Glycoside
GD149111
Name:
JavanisideFormula:
C26H30O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCC4(C(O)=Nc5ccccc54)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCC4(C(O)=Nc5ccccc54)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 161.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD59628
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCC4(C(O)=Nc5ccccc54)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 82.36 | NumAromaticRings: | 1 |
