Glycoside
...
GD111343

Name:
None

Formula:
C28H27O10NS2

Smiles:
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4ccccc4c3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(=S)SC1=Cc1ccc2ccccc2c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.36
AlogP: 3.12 Num_rotatable_bonds: 7
MolWt: 601.66 Num_heavy_atoms: 41
TPSA: 134.74 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
AD44707
Formula: C14H9ONS2

Smiles:
O=C1NC(=S)SC1=Cc1ccc2ccccc2c1
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 3.33 Num_rotatable_bonds: 1
MolWt: 271.37 Num_heavy_atoms: 18
TPSA: 29.1 NumAromaticRings: 2

Sugarmoiety
SD00012

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