Glycoside
...
GD036828

Name:
None

Formula:
C27H30O6NCl

Smiles:
CCC#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=NOCC#CCC.CCOc1ccc(Cc2ccccc2Cl)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: 3.27 Num_rotatable_bonds: 8
MolWt: 487.98 Num_heavy_atoms: 34
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
AD23224
Formula: C6H9ON

Smiles:
C=NOCC#CCC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.5
AlogP: 1.03 Num_rotatable_bonds: 2
MolWt: 111.14 Num_heavy_atoms: 8
TPSA: 21.59 NumAromaticRings: 0

Sugarmoiety
SD00017

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