Glycoside
...
GD115104

Name:
1,2-bis[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl] 3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Formula:
C60H52O26

Smiles:
O=C(OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1

Aglycone:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 26 RingCount: 11
HBD: 14 FractionCSP3: 0.27
AlogP: 2.85 Num_rotatable_bonds: 14
MolWt: 1189.05 Num_heavy_atoms: 86
TPSA: 433.16 NumAromaticRings: 8

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD05145
Formula: C20H20O6

Smiles:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.3
AlogP: 2.56 Num_rotatable_bonds: 4
MolWt: 356.37 Num_heavy_atoms: 26
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD00041

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