Glycoside
...
GD151124

Name:
Rumexneposide B

Formula:
C22H26O10

Smiles:
COc1cc(OC2OC(COC(C)=O)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1

Aglycone:
COC(C)=O.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: 0.81 Num_rotatable_bonds: 6
MolWt: 450.44 Num_heavy_atoms: 32
TPSA: 151.98 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD15787
Formula: C14H14O4

Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.21
AlogP: 2.77 Num_rotatable_bonds: 2
MolWt: 246.26 Num_heavy_atoms: 18
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00017

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