Glycoside
...
GD022897

Name:
None

Formula:
C25H32O6NCl

Smiles:
CCOc1ccc(Cc2cc([C@@H]3OC(OCCN(C)C)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

Aglycone:
CCOc1ccc(Cc2ccccc2Cl)cc1.CN(C)CCO

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: 2.39 Num_rotatable_bonds: 9
MolWt: 465.97 Num_heavy_atoms: 32
TPSA: 91.62 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
AD07707
Formula: C4H11ON

Smiles:
CN(C)CCO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.46 Num_rotatable_bonds: 2
MolWt: 89.14 Num_heavy_atoms: 6
TPSA: 23.47 NumAromaticRings: 0

Sugarmoiety
SD00017

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