Glycoside
...
GD034879

Name:
None

Formula:
C29H50O15

Smiles:
CCCCCCCC(=O)O[C@H]1[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O[C@@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)OC.CCCCCCCC(=O)O

Sugarmoiety:
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)OC1O

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 5 FractionCSP3: 0.86
AlogP: 0.03 Num_rotatable_bonds: 21
MolWt: 638.7 Num_heavy_atoms: 44
TPSA: 224.81 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD04095
Formula: C8H16O2

Smiles:
CCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.43 Num_rotatable_bonds: 6
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0
AD04957
Formula: C4H8O2

Smiles:
CCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01449

OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)OC1O