Glycoside
GD032999
Name:
NoneFormula:
C20H25O5N7SSmiles:
NC(CCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccncc4)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
C1=Nc2c(ncnc2NCc2ccncc2)[N]1.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 475.53 | Num_heavy_atoms: | 33 |
| TPSA: | 181.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD19947
Formula: C11H9N6
Smiles:
C1=Nc2c(ncnc2NCc2ccncc2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.24 | Num_heavy_atoms: | 17 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
