Glycoside
...
GD125386

Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate

Formula:
C39H46O17

Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)OCC4(O)COC(OC5C(OCCc6ccc(O)cc6)OC(CO)C(O)C5O)C4O)cc3C2CO)ccc1O

Aglycone:
COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2.OCCc1ccc(O)cc1

Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 8 FractionCSP3: 0.46
AlogP: 0.41 Num_rotatable_bonds: 15
MolWt: 786.78 Num_heavy_atoms: 56
TPSA: 252.75 NumAromaticRings: 3

Unique Aglycone
AD03863
Formula: C8H10O2

Smiles:
OCCc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 40.46 NumAromaticRings: 1
AD46454
Formula: C21H22O7

Smiles:
COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.29
AlogP: 2.81 Num_rotatable_bonds: 6
MolWt: 386.4 Num_heavy_atoms: 28
TPSA: 94.45 NumAromaticRings: 2

Sugarmoiety
SD01555

OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O