Glycoside
GD111317
Name:
NoneFormula:
C24H33O12N3S2Smiles:
CCSC(SCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=OAglycone:
CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])SCCSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 17 |
| MolWt: | 619.67 | Num_heavy_atoms: | 41 |
| TPSA: | 203.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD44705
Formula: C12H17O4N3S2
Smiles:
CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])SCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 331.42 | Num_heavy_atoms: | 21 |
| TPSA: | 98.31 | NumAromaticRings: | 1 |
