Glycoside
GD000538
Name:
NoneFormula:
C14H22O4N8Smiles:
CN(CCC(N)=NO)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCC(N)=NO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.38 | Num_heavy_atoms: | 26 |
| TPSA: | 181.16 | 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 |
AD00591
Formula: C5H13ON3
Smiles:
CN(C)CCC(N)=NO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.18 | Num_heavy_atoms: | 9 |
| TPSA: | 61.85 | NumAromaticRings: | 0 |
