Glycoside
GD009282
Name:
NoneFormula:
C23H34O6N6SSmiles:
CCCCCCCC(=O)N[C@@H]1C[C@H](CSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)OC1=OAglycone:
CCCCCCCC(=O)NC1CC(CSC)OC1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 522.63 | Num_heavy_atoms: | 36 |
| TPSA: | 174.71 | NumAromaticRings: | 2 |
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 |
AD07291
Formula: C14H25O3NS
Smiles:
CCCCCCCC(=O)NC1CC(CSC)OC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 287.43 | Num_heavy_atoms: | 19 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
