Glycoside
...
GD027182

Name:
None

Formula:
C21H26O9N3PS2

Smiles:
COP(=S)(NN1C(=O)CSC1=N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1

Aglycone:
COP(=S)(NN1C(=N)SCC1=O)c1ccccc1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 0.86 Num_rotatable_bonds: 8
MolWt: 559.56 Num_heavy_atoms: 36
TPSA: 142.06 NumAromaticRings: 1

Unique Aglycone
AD08354
Formula: C10H12O2N3PS2

Smiles:
COP(=S)(NN1C(=N)SCC1=O)c1ccccc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.28 Num_rotatable_bonds: 4
MolWt: 301.33 Num_heavy_atoms: 18
TPSA: 65.42 NumAromaticRings: 1

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O