Glycoside
GD088895
Name:
NoneFormula:
C22H27O7N3Smiles:
O=C(C(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1cncc(COc2ccc(N3CCNCC3)cc2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.47 | Num_heavy_atoms: | 32 |
| TPSA: | 143.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD38876
Formula: C16H19ON3
Smiles:
c1cncc(COc2ccc(N3CCNCC3)cc2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.35 | Num_heavy_atoms: | 20 |
| TPSA: | 37.39 | NumAromaticRings: | 2 |
