Glycoside
GD072096
Name:
NoneFormula:
C12H23O11NSSmiles:
CC1(C)OC[C@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)O1Aglycone:
CC1(C)OCC(C(N)=O)O1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.38 | Num_heavy_atoms: | 25 |
| TPSA: | 187.4 | 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 |
AD26294
Formula: C6H11O3N
Smiles:
CC1(C)OCC(C(N)=O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 61.55 | NumAromaticRings: | 0 |
