Glycoside
...
GD023169

Name:
ISOORIENTIN PERACETATE

Formula:
C37H36O19

Smiles:
CC(=O)OC[C@@H]1O[C@H](c2c(OC(C)=O)cc3oc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)cc(=O)c3c2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 0 FractionCSP3: 0.38
AlogP: 2.96 Num_rotatable_bonds: 11
MolWt: 784.68 Num_heavy_atoms: 56
TPSA: 249.84 NumAromaticRings: 3

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
AD06397
Formula: C23H18O10

Smiles:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.17
AlogP: 3.16 Num_rotatable_bonds: 5
MolWt: 454.39 Num_heavy_atoms: 33
TPSA: 135.41 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O