Glycoside
GD094250
Name:
NoneFormula:
C15H29O12NS2Smiles:
COCCC1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCS(=O)(=O)CC1Aglycone:
COCCC1(C(N)=O)CCS(=O)(=O)CC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.53 | Num_heavy_atoms: | 30 |
| TPSA: | 212.31 | 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 |
AD34561
Formula: C9H17O4NS
Smiles:
COCCC1(C(N)=O)CCS(=O)(=O)CC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 235.3 | Num_heavy_atoms: | 15 |
| TPSA: | 86.46 | NumAromaticRings: | 0 |
