Glycoside
...
GD014207

Name:
None

Formula:
C21H25O11N3S

Smiles:
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O

Aglycone:
COC(C)=O.CSc1nc(N)c2c(n1)OCC2=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.57
AlogP: 0.27 Num_rotatable_bonds: 8
MolWt: 527.51 Num_heavy_atoms: 36
TPSA: 178.54 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05651
Formula: C7H7O2N3S

Smiles:
CSc1nc(N)c2c(n1)OCC2=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 0.36 Num_rotatable_bonds: 1
MolWt: 197.22 Num_heavy_atoms: 13
TPSA: 78.1 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O