Glycoside
...
GD004937

Name:
None

Formula:
C26H27O10N3S

Smiles:
CSc1nc(=O)c(C#N)c(-c2ccccc2)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.CSC1=NC(=O)C(C#N)=C(c2ccccc2)[N]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.76 Num_rotatable_bonds: 8
MolWt: 573.58 Num_heavy_atoms: 40
TPSA: 173.11 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
AD04250
Formula: C12H8ON3S

Smiles:
CSC1=NC(=O)C(C#N)=C(c2ccccc2)[N]1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.08
AlogP: 1.78 Num_rotatable_bonds: 1
MolWt: 242.28 Num_heavy_atoms: 17
TPSA: 67.32 NumAromaticRings: 1

Sugarmoiety
SD00012

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