Glycoside
...
GD113566

Name:
None

Formula:
C27H15O7NCl3Br

Smiles:
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1

Aglycone:
Nc1ccc(Br)c(Cl)c1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 5.88 Num_rotatable_bonds: 8
MolWt: 615.65 Num_heavy_atoms: 36
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD40392
Formula: C8H5OCl

Smiles:
O=Cc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 2.15 Num_rotatable_bonds: 1
MolWt: 140.57 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1
AD44791
Formula: C7H5NClBr

Smiles:
Nc1ccc(Br)c(Cl)c1
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