Glycoside
...
GD097660

Name:
None

Formula:
C19H25O10N3S

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc([S@](C)=O)nc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.CS(=O)c1ncc(N)cn1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.58
AlogP: -0.29 Num_rotatable_bonds: 8
MolWt: 487.49 Num_heavy_atoms: 33
TPSA: 169.31 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
AD41578
Formula: C5H7ON3S

Smiles:
CS(=O)c1ncc(N)cn1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.2 Num_rotatable_bonds: 1
MolWt: 157.2 Num_heavy_atoms: 10
TPSA: 68.87 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O