Glycoside
...
GD108141

Name:
Rutarensin

Formula:
C31H30O16

Smiles:
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 5 FractionCSP3: 0.35
AlogP: 1.05 Num_rotatable_bonds: 11
MolWt: 658.57 Num_heavy_atoms: 47
TPSA: 241.86 NumAromaticRings: 4

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD12849
Formula: C19H12O7

Smiles:
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.05
AlogP: 3.41 Num_rotatable_bonds: 3
MolWt: 352.3 Num_heavy_atoms: 26
TPSA: 99.11 NumAromaticRings: 4

Sugarmoiety
SD00017

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