Glycoside
...
GD151405

Name:
5-({3-[(carboxycarbonyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,4'-dihydroxy-10,10'-dioxo-5'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid

Formula:
C44H38O23

Smiles:
O=C(O)C(=O)OC1C(Oc2cccc3c2C(=O)c2c(O)cc(C(=O)O)cc2C3C2c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)OC(CO)C(O)C1O

Aglycone:
O=C(O)C(=O)O.O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 12 FractionCSP3: 0.32
AlogP: -1.46 Num_rotatable_bonds: 10
MolWt: 934.77 Num_heavy_atoms: 67
TPSA: 391.33 NumAromaticRings: 4

Unique Aglycone
AD02822
Formula: C30H18O10

Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O
HBA: 10 RingCount: 6
HBD: 6 FractionCSP3: 0.07
AlogP: 3.96 Num_rotatable_bonds: 3
MolWt: 538.46 Num_heavy_atoms: 40
TPSA: 189.66 NumAromaticRings: 4
AD60389
Formula: C2H2O4

Smiles:
O=C(O)C(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.84 Num_rotatable_bonds: 0
MolWt: 90.03 Num_heavy_atoms: 6
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00019

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