Glycoside
GD010740
Name:
NoneFormula:
C20H31O5N7Smiles:
CC(=O)NCCCCCCCCNC(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(=O)NCCCCCCCCNC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 449.51 | Num_heavy_atoms: | 32 |
| TPSA: | 177.51 | 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 |
AD08249
Formula: C11H22O2N2
Smiles:
CC(=O)NCCCCCCCCNC=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 214.31 | Num_heavy_atoms: | 15 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
