Glycoside
GD000613
Name:
NoneFormula:
C18H23O6N7SSmiles:
NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(N[C@H](CO)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(N)(=O)=O.OCC(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.49 | Num_heavy_atoms: | 32 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD00670
Formula: C13H12ON5
Smiles:
OCC(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.27 | Num_heavy_atoms: | 19 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
