Glycoside
GD073424
Name:
NoneFormula:
C13H18O8N2S2Smiles:
CCOC(=O)c1sc(SC)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCOC(=O)c1sc(SC)nc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 394.43 | Num_heavy_atoms: | 25 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD34041
Formula: C7H10O2N2S2
Smiles:
CCOC(=O)c1sc(SC)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.3 | Num_heavy_atoms: | 13 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
