Glycoside
GD034601
Name:
NoneFormula:
C12H19O3N7Smiles:
NCCNC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.33 | Num_heavy_atoms: | 22 |
| TPSA: | 157.36 | 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 |
AD21978
Formula: C3H10N2
Smiles:
CNCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.13 | Num_heavy_atoms: | 5 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
