Glycoside
...
GD112821

Name:
None

Formula:
C27H21O9NClBr

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2Cl)c1

Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.Nc1ccc(Br)cc1Cl

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.15
AlogP: 4.59 Num_rotatable_bonds: 10
MolWt: 606.81 Num_heavy_atoms: 38
TPSA: 137.46 NumAromaticRings: 3

Unique Aglycone
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD44793
Formula: C7H5NClBr

Smiles:
Nc1ccc(Br)cc1Cl
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.68 Num_rotatable_bonds: 0
MolWt: 206.47 Num_heavy_atoms: 9
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00296

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