Glycoside
GD015629
Name:
NoneFormula:
C8H15O6NSSmiles:
N[C@H](CSC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CSCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.28 | Num_heavy_atoms: | 16 |
| TPSA: | 133.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD11337
Formula: C4H9O2NS
Smiles:
CSCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.19 | Num_heavy_atoms: | 8 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
