Glycoside
GD091477
Name:
NoneFormula:
C21H26O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(N5CCOCC5)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCc2cccc(N3CCOCC3)c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 138.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD39916
Formula: C16H17ON6
Smiles:
C1=Nc2c(ncnc2NCc2cccc(N3CCOCC3)c2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 76.74 | NumAromaticRings: | 2 |
