Glycoside
...
GD002729

Name:
RUMEXNEPOSIDE A

Formula:
C23H26O9

Smiles:
CC=CC(=O)OC[C@@H]1O[C@H](Oc2cccc3cc(C)c(C(C)=O)c(O)c23)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)c1c(C)cc2cccc(O)c2c1O.CC=CC(=O)OC

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 4 FractionCSP3: 0.39
AlogP: 1.36 Num_rotatable_bonds: 6
MolWt: 446.45 Num_heavy_atoms: 32
TPSA: 142.75 NumAromaticRings: 2

Unique Aglycone
AD02570
Formula: C13H12O3

Smiles:
CC(=O)c1c(C)cc2cccc(O)c2c1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.15
AlogP: 2.76 Num_rotatable_bonds: 1
MolWt: 216.24 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 2
AD02571
Formula: C5H8O2

Smiles:
CC=CC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.4
AlogP: 0.74 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O