Glycoside
...
GD151881

Name:
7-[({3-[7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-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:
C35H38O16

Smiles:
COc1cc(O)cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(OC6OC(CO)C(O)C(O)C6O)C45)cc3C2CO)c1

Aglycone:
COc1cc(O)cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(O)C45)cc3C2CO)c1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.43
AlogP: 0.58 Num_rotatable_bonds: 11
MolWt: 714.67 Num_heavy_atoms: 51
TPSA: 251.36 NumAromaticRings: 2

Unique Aglycone
AD60526
Formula: C29H28O11

Smiles:
COc1cc(O)cc(C2Oc3c(O)cc(C=CC(=O)OCC4=CCC5C(C(=O)O)=COC(O)C45)cc3C2CO)c1
HBA: 11 RingCount: 5
HBD: 5 FractionCSP3: 0.31
AlogP: 2.75 Num_rotatable_bonds: 8
MolWt: 552.53 Num_heavy_atoms: 40
TPSA: 172.21 NumAromaticRings: 2

Sugarmoiety
SD00003

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