Glycoside
...
GD001451

Name:
None

Formula:
C41H54O26

Smiles:
C#CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O

Sugarmoiety:
C#CCOC1OC(COC2OC(COC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 0 FractionCSP3: 0.71
AlogP: -1.21 Num_rotatable_bonds: 19
MolWt: 962.86 Num_heavy_atoms: 67
TPSA: 318.38 NumAromaticRings: 0

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

Sugarmoiety
SD00389

C#CCOC1OC(COC2OC(COC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O