Glycoside
...
GD110413

Name:
None

Formula:
C24H24O10NS2Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C/c3ccc(Br)cc3)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=Cc1ccc(Br)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 2.73 Num_rotatable_bonds: 7
MolWt: 630.49 Num_heavy_atoms: 38
TPSA: 134.74 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
AD44637
Formula: C10H6ONS2Br

Smiles:
O=C1NC(=S)SC1=Cc1ccc(Br)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.94 Num_rotatable_bonds: 1
MolWt: 300.2 Num_heavy_atoms: 15
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00012

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