Glycoside
GD032791
Name:
NoneFormula:
C20H24O6N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cc(OC)ccc4OC)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1ccc(OC)c(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.45 | Num_heavy_atoms: | 32 |
| TPSA: | 152.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD20981
Formula: C14H14O2N5
Smiles:
COc1ccc(OC)c(CNc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.3 | Num_heavy_atoms: | 21 |
| TPSA: | 82.73 | NumAromaticRings: | 2 |
