Glycoside
...
GD032570

Name:
None

Formula:
C24H27O9N3S2

Smiles:
CC(=O)OCC1OC(n2nc(Cc3ccccc3)c(=S)[nH]c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.S=c1[nH]nc(Cc2ccccc2)c(=S)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.46
AlogP: 2.52 Num_rotatable_bonds: 8
MolWt: 565.63 Num_heavy_atoms: 38
TPSA: 148.04 NumAromaticRings: 2

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
AD20876
Formula: C10H9N3S2

Smiles:
S=c1[nH]nc(Cc2ccccc2)c(=S)[nH]1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.79 Num_rotatable_bonds: 2
MolWt: 235.34 Num_heavy_atoms: 15
TPSA: 44.47 NumAromaticRings: 2

Sugarmoiety
SD00012

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