Glycoside
GD036124
Name:
NoneFormula:
C20H24O6N6SSmiles:
C[C@H](OS(N)(=O)=O)[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCc3ccccc32)[N]1.CCOS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 174.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD00470
Formula: C14H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCc3ccccc32)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.28 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD22813
Formula: C2H7O3NS
Smiles:
CCOS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.15 | Num_heavy_atoms: | 7 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
