Glycoside
...
GD030185

Name:
None

Formula:
C25H26O6NCl

Smiles:
C#CCON=C[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCC)cc3)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
C#CCON=C.CCOc1ccc(Cc2ccccc2Cl)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.38
AlogP: 2.49 Num_rotatable_bonds: 8
MolWt: 459.93 Num_heavy_atoms: 32
TPSA: 100.74 NumAromaticRings: 2

Unique Aglycone
AD00288
Formula: C16H15OCl

Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 4.33 Num_rotatable_bonds: 4
MolWt: 246.74 Num_heavy_atoms: 17
TPSA: 9.23 NumAromaticRings: 2
AD19547
Formula: C4H5ON

Smiles:
C#CCON=C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.25
AlogP: 0.25 Num_rotatable_bonds: 2
MolWt: 83.09 Num_heavy_atoms: 6
TPSA: 21.59 NumAromaticRings: 0

Sugarmoiety
SD00017

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