Glycoside
GD012579
Name:
NoneFormula:
C18H28O6N6Smiles:
OCCCNc1nc(NCC2CCCO2)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
OCCCNc1nc2c(c(NCC3CCCO3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 424.46 | Num_heavy_atoms: | 30 |
| TPSA: | 167.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD09476
Formula: C13H19O2N6
Smiles:
OCCCNc1nc2c(c(NCC3CCCO3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 291.33 | Num_heavy_atoms: | 21 |
| TPSA: | 105.76 | NumAromaticRings: | 1 |
