Glycoside
GD009442
Name:
NoneFormula:
C17H26O8N2SSmiles:
CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCNS(=O)(=O)c1cccc(NC=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.47 | Num_heavy_atoms: | 28 |
| TPSA: | 165.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD07401
Formula: C11H16O3N2S
Smiles:
CCCCNS(=O)(=O)c1cccc(NC=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 256.33 | Num_heavy_atoms: | 17 |
| TPSA: | 75.27 | NumAromaticRings: | 1 |
