Glycoside
...
GD106844

Name:
None

Formula:
C26H38O15

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC[C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]3OC(C)(C)O[C@@H]23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 0 FractionCSP3: 0.85
AlogP: 0.48 Num_rotatable_bonds: 8
MolWt: 590.58 Num_heavy_atoms: 41
TPSA: 169.81 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
AD40416
Formula: C12H20O6

Smiles:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 1.0
AlogP: 0.38 Num_rotatable_bonds: 1
MolWt: 260.29 Num_heavy_atoms: 18
TPSA: 66.38 NumAromaticRings: 0

Sugarmoiety
SD00012

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