Glycoside
GD080971
Name:
NoneFormula:
C17H25O5N7Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(CN4CCCCC4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1Aglycone:
C1=C(CN2CCCCC2)N=N[N]1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.43 | Num_heavy_atoms: | 29 |
| TPSA: | 164.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD28723
Formula: C8H13N4
Smiles:
C1=C(CN2CCCCC2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.22 | Num_heavy_atoms: | 12 |
| TPSA: | 42.06 | NumAromaticRings: | 0 |
