Glycoside
...
GD110744

Name:
None

Formula:
C28H28O10N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=Cc2cccs2)N=C(S)N1c1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.36
AlogP: 3.31 Num_rotatable_bonds: 8
MolWt: 616.67 Num_heavy_atoms: 42
TPSA: 147.1 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
AD19762
Formula: C14H10ON2S2

Smiles:
O=C1C(=Cc2cccs2)N=C(S)N1c1ccccc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 3.42 Num_rotatable_bonds: 2
MolWt: 286.38 Num_heavy_atoms: 19
TPSA: 32.67 NumAromaticRings: 2

Sugarmoiety
SD00012

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