Glycoside
GD001964
Name:
NoneFormula:
C23H32O8N12Smiles:
Nc1nc(NCCCNc2nc(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(NCCCNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -3.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 604.59 | Num_heavy_atoms: | 43 |
| TPSA: | 303.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD01912
Formula: C13H14N12
Smiles:
Nc1nc2c(c(NCCCNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.34 | Num_heavy_atoms: | 25 |
| TPSA: | 180.58 | NumAromaticRings: | 2 |
