Glycoside
...
GD025130

Name:
None

Formula:
C21H25O10N3S

Smiles:
CSc1nc2c(c(O)c(C)c(=O)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C

Aglycone:
CSc1nc2[nH]c(=O)c(C)c(O)c2c(=O)n1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: 0.16 Num_rotatable_bonds: 5
MolWt: 511.51 Num_heavy_atoms: 35
TPSA: 165.25 NumAromaticRings: 2

Unique Aglycone
AD03013
Formula: C10H11O3N3S

Smiles:
CSc1nc2[nH]c(=O)c(C)c(O)c2c(=O)n1C
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.3
AlogP: 0.36 Num_rotatable_bonds: 1
MolWt: 253.28 Num_heavy_atoms: 17
TPSA: 87.98 NumAromaticRings: 2

Sugarmoiety
SD00194

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