Glycoside
GD092155
Name:
NoneFormula:
C21H29O5N6Smiles:
COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CC(C)([NH3+])CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 445.5 | Num_heavy_atoms: | 32 |
| TPSA: | 162.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD40236
Formula: C16H20ON6
Smiles:
COc1ccc(CC(C)([NH3+])CNc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.38 | Num_heavy_atoms: | 23 |
| TPSA: | 101.14 | NumAromaticRings: | 2 |
