Glycoside
...
GD136421

Name:
1-(8-{[6-(4-amino-1-hydroxybutyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one

Formula:
C23H31O9N

Smiles:
COc1cc(OC2OC(C(O)CCCN)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1

Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.NCCCCO

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 0.35 Num_rotatable_bonds: 8
MolWt: 465.5 Num_heavy_atoms: 33
TPSA: 171.93 NumAromaticRings: 2

Unique Aglycone
AD15787
Formula: C14H14O4

Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.21
AlogP: 2.77 Num_rotatable_bonds: 2
MolWt: 246.26 Num_heavy_atoms: 18
TPSA: 66.76 NumAromaticRings: 2
AD19589
Formula: C4H11ON

Smiles:
NCCCCO
HBA: 2 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.28 Num_rotatable_bonds: 3
MolWt: 89.14 Num_heavy_atoms: 6
TPSA: 46.25 NumAromaticRings: 0

Sugarmoiety
SD00017

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