Glycoside
...
GD147122

Name:
7-[({3-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl}oxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C36H40O17

Smiles:
COc1cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(OC6OC(CO)C(O)C(O)C6O)C45)cc3C2CO)cc(OC)c1O

Aglycone:
COc1cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(O)C45)cc3C2CO)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: 0.58 Num_rotatable_bonds: 12
MolWt: 744.7 Num_heavy_atoms: 53
TPSA: 260.59 NumAromaticRings: 2

Unique Aglycone
AD58926
Formula: C30H30O12

Smiles:
COc1cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(O)C45)cc3C2CO)cc(OC)c1O
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.33
AlogP: 2.76 Num_rotatable_bonds: 9
MolWt: 582.56 Num_heavy_atoms: 42
TPSA: 181.44 NumAromaticRings: 2

Sugarmoiety
SD00003

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