Glycoside
GD097564
Name:
NoneFormula:
C22H27O8N3Smiles:
O=C(c1ccc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1)N1CCOCC1Aglycone:
O=C(c1ccc(Nc2ccc(O)cc2)cn1)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.47 | Num_heavy_atoms: | 33 |
| TPSA: | 153.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD41519
Formula: C16H17O3N3
Smiles:
O=C(c1ccc(Nc2ccc(O)cc2)cn1)N1CCOCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.33 | Num_heavy_atoms: | 22 |
| TPSA: | 74.69 | NumAromaticRings: | 2 |
