Glycoside
...
GD004293

Name:
None

Formula:
C22H28O12N4S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 5 FractionCSP3: 0.45
AlogP: -1.47 Num_rotatable_bonds: 8
MolWt: 604.62 Num_heavy_atoms: 40
TPSA: 227.75 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
AD00159
Formula: C8H10O3N4S2

Smiles:
NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)cc1
HBA: 7 RingCount: 1
HBD: 6 FractionCSP3: 0.0
AlogP: -1.19 Num_rotatable_bonds: 2
MolWt: 274.33 Num_heavy_atoms: 17
TPSA: 127.31 NumAromaticRings: 1

Sugarmoiety
SD00012

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