Glycoside
...
GD001491

Name:
None

Formula:
C21H28O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H](OC(C)=O)[C@@H]4O[C@@]4(COC(C)=O)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.76
AlogP: -1.88 Num_rotatable_bonds: 7
MolWt: 488.44 Num_heavy_atoms: 34
TPSA: 179.81 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
AD01108
Formula: C13H16O7

Smiles:
CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12
HBA: 7 RingCount: 3
HBD: 1 FractionCSP3: 0.69
AlogP: -0.27 Num_rotatable_bonds: 3
MolWt: 284.26 Num_heavy_atoms: 20
TPSA: 94.59 NumAromaticRings: 0

Sugarmoiety
SD00017

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