Glycoside
...
GD112667

Name:
None

Formula:
C20H19O10Br5

Smiles:
CC(=O)OC[C@H]1O[C@H](Oc2c(Br)c(Br)c(Br)c(Br)c2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1c(Br)c(Br)c(Br)c(Br)c1Br

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: 4.96 Num_rotatable_bonds: 7
MolWt: 818.88 Num_heavy_atoms: 35
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
AD44788
Formula: C6HOBr5

Smiles:
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 5.2 Num_rotatable_bonds: 0
MolWt: 488.59 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00012

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