Glycoside
GD005239
Name:
NoneFormula:
C22H28O4N10Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.COc1ccc(CC(C)Nc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.53 | Num_heavy_atoms: | 36 |
| TPSA: | 184.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD04479
Formula: C15H17ON6
Smiles:
COc1ccc(CC(C)Nc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.34 | Num_heavy_atoms: | 22 |
| TPSA: | 99.52 | NumAromaticRings: | 2 |
