Glycoside
...
GD031261

Name:
None

Formula:
C28H30O5N2ClBr

Smiles:
O=C(CCBr)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)CCBr.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.44
AlogP: 3.64 Num_rotatable_bonds: 8
MolWt: 577.9 Num_heavy_atoms: 36
TPSA: 103.95 NumAromaticRings: 3

Unique Aglycone
AD00150
Formula: C19H16NCl

Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.22
AlogP: 5.29 Num_rotatable_bonds: 3
MolWt: 281.79 Num_heavy_atoms: 20
TPSA: 15.79 NumAromaticRings: 3
AD20155
Formula: C4H8ONBr

Smiles:
CNC(=O)CCBr
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.52 Num_rotatable_bonds: 2
MolWt: 166.02 Num_heavy_atoms: 7
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O