Glycoside
GD033721
Name:
NoneFormula:
C20H23O6N5SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2NC2CCc3ccccc32)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 161.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD21505
Formula: C15H13N4
Smiles:
C1=Cc2c(ncnc2NC2CCc3ccccc32)[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.3 | Num_heavy_atoms: | 19 |
| TPSA: | 51.91 | NumAromaticRings: | 2 |
