Glycoside
...
GD021255

Name:
None

Formula:
C29H27O5N2Cl3

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

Aglycone:
CNC(=O)C(Cl)Cl.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: 0.42
AlogP: 3.66 Num_rotatable_bonds: 7
MolWt: 553.87 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
AD14560
Formula: C5H5ONCl2

Smiles:
CNC(=O)C(Cl)Cl
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.54 Num_rotatable_bonds: 1
MolWt: 141.99 Num_heavy_atoms: 7
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00017

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