Glycoside
GD080785
Name:
NoneFormula:
C18H26O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC4(N5CCOCC5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2(N3CCOCC3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.44 | Num_heavy_atoms: | 29 |
| TPSA: | 138.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD36465
Formula: C13H17ON6
Smiles:
C1=Nc2c(ncnc2NCC2(N3CCOCC3)CC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.32 | Num_heavy_atoms: | 20 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
