Glycoside
GD109553
Name:
NoneFormula:
C24H31O14N3SSmiles:
CCS[C@H](OC(C)=O)[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-])OC(C)=OSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 16 |
| MolWt: | 617.59 | Num_heavy_atoms: | 42 |
| TPSA: | 229.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD44553
Formula: C12H15O6N3S
Smiles:
CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC(C)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 329.33 | Num_heavy_atoms: | 22 |
| TPSA: | 124.61 | NumAromaticRings: | 1 |
