Glycoside
...
GD114768

Name:
3-hydroxy-4-{[2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-2,6-dimethylcyclohexyl acetate

Formula:
C37H46O13

Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)ccc3c(=O)c2OC2CC(C)C(OC(C)=O)C(C)C2O)cc1

Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)ccc3c(=O)c2OC2CC(C)C(OC(C)=O)C(C)C2O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.51
AlogP: 2.87 Num_rotatable_bonds: 10
MolWt: 698.76 Num_heavy_atoms: 50
TPSA: 194.58 NumAromaticRings: 3

Unique Aglycone
AD45272
Formula: C31H36O8

Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)ccc3c(=O)c2OC2CC(C)C(OC(C)=O)C(C)C2O)cc1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.42
AlogP: 5.4 Num_rotatable_bonds: 7
MolWt: 536.62 Num_heavy_atoms: 39
TPSA: 115.43 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O