Glycoside
GD036515
Name:
NoneFormula:
C14H23O6N7S2Smiles:
CN(C)CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
CN(C)CCSC1=N[N]c2ncnc(N)c21.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.52 | Num_heavy_atoms: | 29 |
| TPSA: | 191.94 | NumAromaticRings: | 2 |
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 |
AD23020
Formula: C9H13N6S
Smiles:
CN(C)CCSC1=N[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.31 | Num_heavy_atoms: | 16 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
