Glycoside
...
GD104749

Name:
None

Formula:
C19H21O7NClBr

Smiles:
C[C@@]1(Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@H](C(=O)O)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O

Aglycone:
Oc1c[nH]c2ccc(Br)c(Cl)c12

Sugarmoiety:
CC1(O)OC(C(=O)O)C(C)(O)C(C)(O)C1(C)O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 2.42 Num_rotatable_bonds: 3
MolWt: 478.72 Num_heavy_atoms: 28
TPSA: 132.24 NumAromaticRings: 2

Unique Aglycone
AD08346
Formula: C9H5ONClBr

Smiles:
Oc1c[nH]c2ccc(Br)c(Cl)c12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.29 Num_rotatable_bonds: 0
MolWt: 246.49 Num_heavy_atoms: 12
TPSA: 36.02 NumAromaticRings: 2

Sugarmoiety
SD04056

CC1(O)OC(C(=O)O)C(C)(O)C(C)(O)C1(C)O