Glycoside
GD026665
Name:
NoneFormula:
C22H35O6N9Smiles:
NCCCC[C@H](NC(=O)CCCCCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(N)=OAglycone:
NCCCCC(NC(=O)CCCCCNC=O)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 521.58 | Num_heavy_atoms: | 37 |
| TPSA: | 246.62 | 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 |
AD17565
Formula: C13H26O3N4
Smiles:
NCCCCC(NC(=O)CCCCCNC=O)C(N)=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 286.38 | Num_heavy_atoms: | 20 |
| TPSA: | 127.31 | NumAromaticRings: | 0 |
