Glycoside
GD079377
Name:
NoneFormula:
C11H23O12NS2Smiles:
COC(=O)CCCS(=O)(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)CCCS(N)(=O)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.43 | Num_heavy_atoms: | 26 |
| 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 |
AD36306
Formula: C5H11O4NS
Smiles:
COC(=O)CCCS(N)(=O)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 181.21 | Num_heavy_atoms: | 11 |
| TPSA: | 86.46 | NumAromaticRings: | 0 |
