Glycoside
...
GD031680

Name:
None

Formula:
C28H30O8N2S

Smiles:
CC(=O)O[C@H]1CO[C@@H](CC(=O)C=Cc2cccc(NC(=S)Nc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.32
AlogP: 3.66 Num_rotatable_bonds: 9
MolWt: 554.62 Num_heavy_atoms: 39
TPSA: 129.26 NumAromaticRings: 2

Unique Aglycone
AD06773
Formula: C17H16ON2S

Smiles:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.06
AlogP: 4.1 Num_rotatable_bonds: 4
MolWt: 296.4 Num_heavy_atoms: 21
TPSA: 41.13 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O