Glycoside
...
GD107716

Name:
None

Formula:
C21H28O9N4S

Smiles:
CSc1nc(N[C@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(/N=C(/C)C(C)=O)c(=O)n1C

Aglycone:
CSc1nc(N)c(N=C(C)C(C)=O)c(=O)n1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 0.75 Num_rotatable_bonds: 8
MolWt: 512.54 Num_heavy_atoms: 35
TPSA: 164.48 NumAromaticRings: 1

Unique Aglycone
AD12012
Formula: C10H14O2N4S

Smiles:
CSc1nc(N)c(N=C(C)C(C)=O)c(=O)n1C
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 0.77 Num_rotatable_bonds: 3
MolWt: 254.31 Num_heavy_atoms: 17
TPSA: 90.34 NumAromaticRings: 1

Sugarmoiety
SD00194

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