Glycoside
GD030299
Name:
NoneFormula:
C21H27O7N5Smiles:
COc1cc(CCNc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(CCNc2ncnc3c2N=C[N]3)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.48 | Num_heavy_atoms: | 33 |
| TPSA: | 153.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD08543
Formula: C16H18O3N5
Smiles:
COc1cc(CCNc2ncnc3c2N=C[N]3)cc(OC)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.35 | Num_heavy_atoms: | 24 |
| TPSA: | 91.96 | NumAromaticRings: | 2 |
