Glycoside
...
GD035191

Name:
None

Formula:
C36H46O5N2

Smiles:
NCCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1

Aglycone:
COCCCCCCN.OCCc1c[nH]c2ccccc12.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1CC(O)C(O)OC1O

Other Identifiers

Properties
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.44
AlogP: 6.55 Num_rotatable_bonds: 18
MolWt: 586.77 Num_heavy_atoms: 43
TPSA: 87.96 NumAromaticRings: 4

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD00863
Formula: C10H11ON

Smiles:
OCCc1c[nH]c2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.7 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 36.02 NumAromaticRings: 2
AD00947
Formula: C7H17ON

Smiles:
COCCCCCCN
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 1.15 Num_rotatable_bonds: 6
MolWt: 131.22 Num_heavy_atoms: 9
TPSA: 35.25 NumAromaticRings: 0

Sugarmoiety
SD01453

OC1CC(O)C(O)OC1O