Glycoside
...
GD111136

Name:
None

Formula:
C20H21O10Br3

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1c(Br)cc(Br)cc1Br

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 3.44 Num_rotatable_bonds: 7
MolWt: 661.09 Num_heavy_atoms: 33
TPSA: 123.66 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
AD06605
Formula: C6H3OBr3

Smiles:
Oc1c(Br)cc(Br)cc1Br
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 3.68 Num_rotatable_bonds: 0
MolWt: 330.8 Num_heavy_atoms: 10
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00012

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