Glycoside
...
GD003204

Name:
None

Formula:
C22H25O11N3S

Smiles:
CSc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(OC(C)=O)c(C)c(=O)oc2n1

Aglycone:
CSc1nc(N)c2c(OC(C)=O)c(C)c(=O)oc2n1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 1.1 Num_rotatable_bonds: 7
MolWt: 539.52 Num_heavy_atoms: 37
TPSA: 182.45 NumAromaticRings: 2

Unique Aglycone
AD02929
Formula: C11H11O4N3S

Smiles:
CSc1nc(N)c2c(OC(C)=O)c(C)c(=O)oc2n1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 281.29 Num_heavy_atoms: 19
TPSA: 108.31 NumAromaticRings: 2

Sugarmoiety
SD00194

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