Glycoside
...
GD033252

Name:
None

Formula:
C35H62O15

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)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC

Aglycone:
CCCCC(=O)O.CCCCC(=O)O.CCCCC(=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: 0.89
AlogP: 2.37 Num_rotatable_bonds: 27
MolWt: 722.87 Num_heavy_atoms: 50
TPSA: 224.81 NumAromaticRings: 0

Unique Aglycone
AD01564
Formula: C5H10O2

Smiles:
CCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.26 Num_rotatable_bonds: 3
MolWt: 102.13 Num_heavy_atoms: 7
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
AD07225
Formula: C6H12O2

Smiles:
CCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.35 Num_rotatable_bonds: 3
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01449

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