Glycoside
...
GD113482

Name:
None

Formula:
C27H18O8NCl2Br

Smiles:
COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O

Aglycone:
COc1ccc(Br)cc1N.O=Cc1ccccc1Cl.O=Cc1ccccc1Cl

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 5.24 Num_rotatable_bonds: 9
MolWt: 611.23 Num_heavy_atoms: 37
TPSA: 128.23 NumAromaticRings: 3

Unique Aglycone
AD25413
Formula: C8H5OCl

Smiles:
O=Cc1ccccc1Cl
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
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