Glycoside
GD009031
Name:
NoneFormula:
C16H24O3N7FSmiles:
NCC=CCN(CCF)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CC=CCN)CCF.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.41 | Num_heavy_atoms: | 27 |
| TPSA: | 148.57 | 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 |
AD07134
Formula: C7H15N2F
Smiles:
CN(CC=CCN)CCF| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 146.21 | Num_heavy_atoms: | 10 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
