Glycoside
...
GD129695

Name:
(6-{[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Formula:
C37H44O13

Smiles:
COc1cc(C=CC(=O)OCC2OC(OC(CCc3ccc(O)cc3)CC(=O)CCc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OC

Aglycone:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.41
AlogP: 3.1 Num_rotatable_bonds: 17
MolWt: 696.75 Num_heavy_atoms: 50
TPSA: 190.67 NumAromaticRings: 3

Unique Aglycone
AD02986
Formula: C19H22O4

Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.32
AlogP: 2.98 Num_rotatable_bonds: 8
MolWt: 314.38 Num_heavy_atoms: 23
TPSA: 77.76 NumAromaticRings: 2
AD17795
Formula: C13H16O5

Smiles:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.31
AlogP: 1.9 Num_rotatable_bonds: 5
MolWt: 252.27 Num_heavy_atoms: 18
TPSA: 53.99 NumAromaticRings: 1

Sugarmoiety
SD00017

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