Glycoside
...
GD124419

Name:
3-[2-carboxy-3-({[6-carboxy-7-({[2-(carboxymethyl)-4,5-dihydroxyoxan-3-yl]oxy}carbonyl)-5-(3,4-dihydroxyphenyl)-2,3-dihydroxy-5,6-dihydronaphthalen-1-yl]oxy}carbonyl)-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl]-2-oxo-2H-pyran-6-carboxylic acid

Formula:
C43H34O23

Smiles:
O=C(O)CC1OCC(O)C(O)C1OC(=O)C1=Cc2c(cc(O)c(O)c2OC(=O)C2=Cc3cc(O)c(O)cc3C(c3ccc(C(=O)O)oc3=O)C2C(=O)O)C(c2ccc(O)c(O)c2)C1C(=O)O

Aglycone:
O=C(O)C1=Cc2c(cc(O)c(O)c2OC(=O)C2=Cc3cc(O)c(O)cc3C(c3ccc(C(=O)O)oc3=O)C2C(=O)O)C(c2ccc(O)c(O)c2)C1C(=O)O

Sugarmoiety:
O=C(O)CC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 12 FractionCSP3: 0.23
AlogP: 1.14 Num_rotatable_bonds: 11
MolWt: 918.72 Num_heavy_atoms: 66
TPSA: 403.08 NumAromaticRings: 4

Unique Aglycone
AD50261
Formula: C36H24O18

Smiles:
O=C(O)C1=Cc2c(cc(O)c(O)c2OC(=O)C2=Cc3cc(O)c(O)cc3C(c3ccc(C(=O)O)oc3=O)C2C(=O)O)C(c2ccc(O)c(O)c2)C1C(=O)O
HBA: 18 RingCount: 6
HBD: 10 FractionCSP3: 0.11
AlogP: 2.72 Num_rotatable_bonds: 8
MolWt: 744.57 Num_heavy_atoms: 54
TPSA: 327.09 NumAromaticRings: 4

Sugarmoiety
SD04985

O=C(O)CC1OCC(O)C(O)C1O