Glycoside
GD031259
Name:
NoneFormula:
C21H28O6N6Smiles:
COc1ccc(CCNc2nc(NC[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nc3[nH]cnc23)cc1OCAglycone:
CNc1nc(NCCc2ccc(OC)c(OC)c2)c2nc[nH]c2n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 166.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD20153
Formula: C16H20O2N6
Smiles:
CNc1nc(NCCc2ccc(OC)c(OC)c2)c2nc[nH]c2n1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.38 | Num_heavy_atoms: | 24 |
| TPSA: | 96.98 | NumAromaticRings: | 3 |
