Glycoside
...
GD021482

Name:
RUTIN DECAACETATE

Formula:
C47H50O26

Smiles:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1

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

Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 26 RingCount: 5
HBD: 0 FractionCSP3: 0.47
AlogP: 2.62 Num_rotatable_bonds: 16
MolWt: 1030.89 Num_heavy_atoms: 73
TPSA: 330.13 NumAromaticRings: 3

Unique Aglycone
AD14588
Formula: C23H18O11

Smiles:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.17
AlogP: 2.87 Num_rotatable_bonds: 5
MolWt: 470.39 Num_heavy_atoms: 34
TPSA: 155.64 NumAromaticRings: 3

Sugarmoiety
SD02409

CC(=O)OC1C(C)OC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O