Glycoside
GD072946
Name:
NoneFormula:
C13H19O10NSSmiles:
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COC(=O)C1CSC(C(=O)OC)N1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.36 | Num_heavy_atoms: | 25 |
| TPSA: | 170.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD33921
Formula: C7H11O4NS
Smiles:
COC(=O)C1CSC(C(=O)OC)N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.24 | Num_heavy_atoms: | 13 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
