Glycoside
GD034605
Name:
NoneFormula:
C17H25O3N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC3(CNC3)C2)[C@H](O)[C@H]1OAglycone:
CN1CCCC2(CNC2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 134.58 | 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 |
AD21980
Formula: C8H16N2
Smiles:
CN1CCCC2(CNC2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.23 | Num_heavy_atoms: | 10 |
| TPSA: | 15.27 | NumAromaticRings: | 0 |
