Glycoside
GD018885
Name:
NoneFormula:
C21H28O11N2S2Smiles:
COC(=O)[C@@H]1O[C@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
NS(=O)(=O)c1ccc(CCNS)cc1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.59 | Num_heavy_atoms: | 36 |
| TPSA: | 186.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD13240
Formula: C8H12O2N2S2
Smiles:
NS(=O)(=O)c1ccc(CCNS)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.33 | Num_heavy_atoms: | 14 |
| TPSA: | 72.19 | NumAromaticRings: | 1 |
