Glycoside
...
GD136030

Name:
3',4,4',5',7-pentahydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-3H-spiro[1-benzofuran-2,2'-oxan]-6-one

Formula:
C27H30O15

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)(C2OC(CO)C(O)C(O)C2O)C1=O

Aglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)C1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 10 FractionCSP3: 0.48
AlogP: -3.57 Num_rotatable_bonds: 5
MolWt: 594.52 Num_heavy_atoms: 42
TPSA: 264.13 NumAromaticRings: 1

Unique Aglycone
AD54990
Formula: C21H20O10

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)C1=O
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.33
AlogP: -0.79 Num_rotatable_bonds: 3
MolWt: 432.38 Num_heavy_atoms: 31
TPSA: 173.98 NumAromaticRings: 1

Sugarmoiety
SD00003

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