Glycoside
...
GD028213

Name:
MURAXANTHONE

Formula:
C26H22O13

Smiles:
O=C(O[C@@H]1[C@H](c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H](O)[C@H]1O)c1ccc(O)cc1

Aglycone:
O=C(O)c1ccc(O)cc1.O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.23
AlogP: 0.85 Num_rotatable_bonds: 4
MolWt: 542.45 Num_heavy_atoms: 39
TPSA: 227.58 NumAromaticRings: 4

Unique Aglycone
AD02360
Formula: C7H6O3

Smiles:
O=C(O)c1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1
AD02582
Formula: C13H8O6

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 0
MolWt: 260.2 Num_heavy_atoms: 19
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00003

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