Glycoside
...
GD111856

Name:
None

Formula:
C25H20O8NBr

Smiles:
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O

Aglycone:
COc1ccc(Br)cc1N.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 3.93 Num_rotatable_bonds: 9
MolWt: 542.34 Num_heavy_atoms: 35
TPSA: 128.23 NumAromaticRings: 3

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD44740
Formula: C7H8ONBr

Smiles:
COc1ccc(Br)cc1N
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 2.04 Num_rotatable_bonds: 1
MolWt: 202.05 Num_heavy_atoms: 10
TPSA: 35.25 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O