Glycoside
GD065301
Name:
NoneFormula:
C13H23O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCCS1(=O)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.39 | Num_heavy_atoms: | 23 |
| TPSA: | 142.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD31409
Formula: C7H13O4NS
Smiles:
O=C(NCCO)C1CCCS1(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 207.25 | Num_heavy_atoms: | 13 |
| TPSA: | 83.47 | NumAromaticRings: | 0 |
