Glycoside
GD023848
Name:
NoneFormula:
C23H32O9N12Smiles:
Nc1nc(NCC(O)CNc2nc(N)nc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(NCC(O)CNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -4.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.58 | Num_heavy_atoms: | 44 |
| TPSA: | 323.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD15998
Formula: C13H14ON12
Smiles:
Nc1nc2c(c(NCC(O)CNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.34 | Num_heavy_atoms: | 26 |
| TPSA: | 200.81 | NumAromaticRings: | 2 |
