Glycoside
...
GD120027

Name:
1-[3,5-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethan-1-one

Formula:
C27H32O14

Smiles:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2OC2OC(CO)C(O)C(O)C2O)C(C)(C(C)=O)O3)cc(OC)c1O

Aglycone:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2O)C(C)(C(C)=O)O3)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.52
AlogP: -0.29 Num_rotatable_bonds: 7
MolWt: 580.54 Num_heavy_atoms: 41
TPSA: 214.06 NumAromaticRings: 2

Unique Aglycone
AD48172
Formula: C21H22O9

Smiles:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2O)C(C)(C(C)=O)O3)cc(OC)c1O
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.38
AlogP: 1.89 Num_rotatable_bonds: 4
MolWt: 418.4 Num_heavy_atoms: 30
TPSA: 134.91 NumAromaticRings: 2

Sugarmoiety
SD00003

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