Glycoside
...
GD129427

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

Formula:
C22H28O10

Smiles:
COc1cc(OC2OC(C(O)CCO)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.OCCCO

Sugarmoiety:
OCCC(O)C(O)C(O)OOO

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.5
AlogP: -0.01 Num_rotatable_bonds: 7
MolWt: 452.46 Num_heavy_atoms: 32
TPSA: 166.14 NumAromaticRings: 2

Unique Aglycone
AD03058
Formula: C3H8O2

Smiles:
OCCCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.64 Num_rotatable_bonds: 2
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 40.46 NumAromaticRings: 0
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

Sugarmoiety
SD07079

OCCC(O)C(O)C(O)OOO