Glycoside
GD013710
Name:
JAVANISIDEFormula:
C26H30O9N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]21Aglycone:
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: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 158.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD10186
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCC4(C(=O)Nc5ccccc54)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
