Glycoside
...
GD037146

Name:
None

Formula:
C46H84O15

Smiles:
CCCCCCCCCCCCCCCC(=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)CCCCC)[C@@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OC.CCCCCCCCCCCCCCCC(=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: 0.91
AlogP: 6.66 Num_rotatable_bonds: 38
MolWt: 877.16 Num_heavy_atoms: 61
TPSA: 224.81 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD00263
Formula: C16H32O2

Smiles:
CCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 14
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 37.3 NumAromaticRings: 0
AD02869
Formula: C7H14O2

Smiles:
CCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.86
AlogP: 1.74 Num_rotatable_bonds: 4
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01449

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