Glycoside
GD018927
Name:
NoneFormula:
C22H28O5N10Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.COc1ccc(CC(CO)Nc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.53 | Num_heavy_atoms: | 37 |
| TPSA: | 204.4 | 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 |
AD13266
Formula: C15H17O2N6
Smiles:
COc1ccc(CC(CO)Nc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 313.34 | Num_heavy_atoms: | 23 |
| TPSA: | 119.75 | NumAromaticRings: | 2 |
