Glycoside
GD002745
Name:
NoneFormula:
C32H48O8N14Smiles:
CN(CCCC(=O)NCCNC(=O)CCCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCCC(=O)NCCNC(=O)CCCN(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 17 |
| MolWt: | 756.83 | Num_heavy_atoms: | 54 |
| TPSA: | 303.3 | 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 |
AD02584
Formula: C14H30O2N4
Smiles:
CN(C)CCCC(=O)NCCNC(=O)CCCN(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 286.42 | Num_heavy_atoms: | 20 |
| TPSA: | 64.68 | NumAromaticRings: | 0 |
