Glycoside
GD033059
Name:
NoneFormula:
C26H36O9N12Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCO)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.58 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 660.65 | Num_heavy_atoms: | 47 |
| TPSA: | 314.41 | NumAromaticRings: | 4 |
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 |
AD21127
Formula: C7H16O3N2
Smiles:
CN(CCO)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 86.79 | NumAromaticRings: | 0 |
