Glycoside
GD022683
Name:
NoneFormula:
C31H31O15N6Smiles:
O=C(Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@H](CO)O3)c2n1)OCc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
O=C(Nc1nc(OCc2ccccc2)c2ncn(C3CC(O)C(CO)O3)c2n1)OCc1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 727.62 | Num_heavy_atoms: | 52 |
| TPSA: | 303.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD02318
Formula: C25H24O9N6
Smiles:
O=C(Nc1nc(OCc2ccccc2)c2ncn(C3CC(O)C(CO)O3)c2n1)OCc1ccc(O)c([N+](=O)[O-])c1| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.5 | Num_heavy_atoms: | 40 |
| TPSA: | 204.22 | NumAromaticRings: | 4 |
