Glycoside
...
GD152121

Name:
Paulomycin G

Formula:
C20H22O11N2S

Smiles:
CC=C(N=C=S)C(=O)OC1C(C)OC(C2(O)CC(=O)C(=N)C(C(=O)O)=C2O)C(O)C1OC(C)=O

Aglycone:
CC=C(N=C=S)C(=O)O.N=C1C(=O)CC(O)C(O)=C1C(=O)O

Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.5
AlogP: -0.39 Num_rotatable_bonds: 6
MolWt: 498.47 Num_heavy_atoms: 34
TPSA: 213.1 NumAromaticRings: 0

Unique Aglycone
AD18211
Formula: C5H5O2NS

Smiles:
CC=C(N=C=S)C(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.2
AlogP: 1.08 Num_rotatable_bonds: 2
MolWt: 143.17 Num_heavy_atoms: 9
TPSA: 49.66 NumAromaticRings: 0
AD46062
Formula: C7H7O5N

Smiles:
N=C1C(=O)CC(O)C(O)=C1C(=O)O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.29
AlogP: -0.76 Num_rotatable_bonds: 1
MolWt: 185.13 Num_heavy_atoms: 13
TPSA: 118.68 NumAromaticRings: 0

Sugarmoiety
SD01208

CC(=O)OC1C(O)C(C)OC(O)C1O