Glycoside
GD091699
Name:
NoneFormula:
C21H28O5N6Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc([C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)nn3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
C1=C(C23CC4CC(CC(C4)C2)C3)N=N[N]1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.49 | Num_heavy_atoms: | 32 |
| TPSA: | 161.54 | 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 |
AD39987
Formula: C12H16N3
Smiles:
C1=C(C23CC4CC(CC(C4)C2)C3)N=N[N]1| HBA: | 3 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.28 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
