Glycoside
...
GD141069

Name:
1,1',3,4',5,6',8'-heptahydroxy-7'-(1,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H-[2,2'-bixanthene]-9,9'-dione

Formula:
C45H30O23

Smiles:
O=c1c2c(O)c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc2oc2c(O)ccc(OC3OC(CO)C(O)C(O)C3O)c12

Aglycone:
O=c1c2c(O)c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc2oc2c(O)ccc(O)c12

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 15 FractionCSP3: 0.13
AlogP: 2.74 Num_rotatable_bonds: 5
MolWt: 938.71 Num_heavy_atoms: 68
TPSA: 412.54 NumAromaticRings: 9

Unique Aglycone
AD56861
Formula: C39H20O18

Smiles:
O=c1c2c(O)c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc2oc2c(O)ccc(O)c12
HBA: 18 RingCount: 9
HBD: 12 FractionCSP3: 0.0
AlogP: 5.27 Num_rotatable_bonds: 2
MolWt: 776.57 Num_heavy_atoms: 57
TPSA: 333.39 NumAromaticRings: 9

Sugarmoiety
SD00003

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