Glycoside
GD002051
Name:
NoneFormula:
C22H25O8N6SSmiles:
O=C([N-]S(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1O)c1ccccc1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COS(=O)(=O)[N-]C(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 533.54 | Num_heavy_atoms: | 37 |
| TPSA: | 200.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD01994
Formula: C8H8O5NS
Smiles:
COS(=O)(=O)[N-]C(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.22 | Num_heavy_atoms: | 15 |
| TPSA: | 94.77 | NumAromaticRings: | 1 |
