Glycoside
GD024921
Name:
NoneFormula:
C20H36O32N2S6Smiles:
CO[C@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[C@@H]2C(O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]3[C@@H](CS(=O)(=O)O)O[C@@H](OC)[C@H](NS(=O)(=O)O)[C@H]3O)O[C@@H]2C(=O)O)[C@H](NS(=O)(=O)O)[C@H]1OS(=O)(=O)OAglycone:
COS(=O)(=O)O.CS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
COC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(O)C(OC)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -8.0 | Num_rotatable_bonds: | 20 |
| MolWt: | 1008.89 | Num_heavy_atoms: | 60 |
| TPSA: | 520.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD00083
Formula: H3O3NS
Smiles:
NS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.09 | Num_heavy_atoms: | 5 |
| TPSA: | 80.39 | NumAromaticRings: | 0 |
