Glycoside
GD013253
Name:
NoneFormula:
C17H25O6N7Smiles:
NC(=O)CCCCCNC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)NCCCCCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.43 | Num_heavy_atoms: | 30 |
| TPSA: | 200.73 | 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 |
AD09914
Formula: C8H16O3N2
Smiles:
COC(=O)NCCCCCC(N)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 188.23 | Num_heavy_atoms: | 13 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
