Glycoside
...
GD025784

Name:
None

Formula:
C32H32O11NBr

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=C2C(=O)N(Cc3ccc(Br)cc3)c3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.38
AlogP: 3.46 Num_rotatable_bonds: 10
MolWt: 686.51 Num_heavy_atoms: 45
TPSA: 151.81 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
AD17060
Formula: C18H14O2NBr

Smiles:
CC(=O)C=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.11
AlogP: 3.97 Num_rotatable_bonds: 3
MolWt: 356.22 Num_heavy_atoms: 22
TPSA: 37.38 NumAromaticRings: 2

Sugarmoiety
SD00012

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