Glycoside
GD005516
Name:
NoneFormula:
C14H23O3N7Smiles:
CNCCNC[C@@H]1O[C@H](n2c(C)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CNCCNCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 337.38 | Num_heavy_atoms: | 24 |
| TPSA: | 143.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01846
Formula: C4H12N2
Smiles:
CNCCNC| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 24.06 | NumAromaticRings: | 0 |
