Glycoside
...
GD121821

Name:
2-(4-hydroxyphenyl)ethyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-hydroxyethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C32H38O15

Smiles:
O=C(CC1C(C(=O)OCCc2ccc(O)cc2)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCO)OCCc1ccc(O)c(O)c1

Aglycone:
O=C(CC1C(C(=O)OCCc2ccc(O)cc2)=COC(O)C1=CCO)OCCc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.44
AlogP: -0.34 Num_rotatable_bonds: 13
MolWt: 662.64 Num_heavy_atoms: 47
TPSA: 242.13 NumAromaticRings: 2

Unique Aglycone
AD49059
Formula: C26H28O10

Smiles:
O=C(CC1C(C(=O)OCCc2ccc(O)cc2)=COC(O)C1=CCO)OCCc1ccc(O)c(O)c1
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.31
AlogP: 1.83 Num_rotatable_bonds: 10
MolWt: 500.5 Num_heavy_atoms: 36
TPSA: 162.98 NumAromaticRings: 2

Sugarmoiety
SD00003

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