Glycoside
GD086981
Name:
NoneFormula:
C17H25O11NSSmiles:
CC(=O)OC[C@H](C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1Aglycone:
CC(=O)OCC(C(N)=O)c1ccccc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.45 | Num_heavy_atoms: | 30 |
| TPSA: | 195.24 | NumAromaticRings: | 1 |
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 |
AD38382
Formula: C11H13O3N
Smiles:
CC(=O)OCC(C(N)=O)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
