Glycoside
GD086936
Name:
NoneFormula:
C12H21O12NS2Smiles:
CC(=O)O[C@H]1CO[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)S1Aglycone:
CC(=O)OC1COC(C(N)=O)S1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.43 | Num_heavy_atoms: | 27 |
| TPSA: | 204.47 | NumAromaticRings: | 0 |
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 |
AD38373
Formula: C6H9O4NS
Smiles:
CC(=O)OC1COC(C(N)=O)S1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.21 | Num_heavy_atoms: | 12 |
| TPSA: | 78.62 | NumAromaticRings: | 0 |
