Glycoside
GD030376
Name:
NoneFormula:
C28H42O4N8Smiles:
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)[C@H](C)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CO.OC1OOC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.7 | Num_heavy_atoms: | 40 |
| TPSA: | 163.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19658
Formula: C19H33ON3
Smiles:
CCN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.49 | Num_heavy_atoms: | 23 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
