Glycoside
...
GD029018

Name:
None

Formula:
C22H26O10NBr

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)Cc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)Cc1ccc(Br)cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 1.19 Num_rotatable_bonds: 8
MolWt: 544.35 Num_heavy_atoms: 34
TPSA: 143.53 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
AD09101
Formula: C8H8ONBr

Smiles:
NC(=O)Cc1ccc(Br)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.48 Num_rotatable_bonds: 2
MolWt: 214.06 Num_heavy_atoms: 11
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O