Glycoside
GD093769
Name:
NoneFormula:
C13H22O12N2S3Smiles:
CCOC(=O)c1sc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1CAglycone:
CCOC(=O)c1sc(S(N)(=O)=O)nc1C.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.52 | Num_heavy_atoms: | 30 |
| TPSA: | 225.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD36332
Formula: C7H10O4N2S2
Smiles:
CCOC(=O)c1sc(S(N)(=O)=O)nc1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.3 | Num_heavy_atoms: | 15 |
| TPSA: | 99.35 | NumAromaticRings: | 1 |
