Glycoside
GD015331
Name:
NoneFormula:
C21H27O8N5Smiles:
COc1cc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)cc(OC)c1OCAglycone:
COc1cc(CCOc2nc(N)c3c(n2)[N]C=N3)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 477.47 | Num_heavy_atoms: | 34 |
| TPSA: | 176.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD11152
Formula: C16H18O4N5
Smiles:
COc1cc(CCOc2nc(N)c3c(n2)[N]C=N3)cc(OC)c1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 344.35 | Num_heavy_atoms: | 25 |
| TPSA: | 115.18 | NumAromaticRings: | 2 |
