Glycoside
GD029844
Name:
NoneFormula:
C22H28O9N3PS2Smiles:
CCOP(=S)(NN1C(=O)CSC1=N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1Aglycone:
CCOP(=S)(NN1C(=N)SCC1=O)c1ccccc1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 573.59 | Num_heavy_atoms: | 37 |
| TPSA: | 142.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD19363
Formula: C11H14O2N3PS2
Smiles:
CCOP(=S)(NN1C(=N)SCC1=O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.36 | Num_heavy_atoms: | 19 |
| TPSA: | 65.42 | NumAromaticRings: | 1 |
