Glycoside
GD055890
Name:
NoneFormula:
C11H20O8N2SSmiles:
O=C(NCCN1CCCS1(=O)=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCCN1CCCS1(=O)=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -4.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.35 | Num_heavy_atoms: | 22 |
| TPSA: | 164.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD28157
Formula: C5H12O2N2S
Smiles:
NCCN1CCCS1(=O)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.23 | Num_heavy_atoms: | 10 |
| TPSA: | 63.4 | NumAromaticRings: | 0 |
