Glycoside
...
GD037529

Name:
None

Formula:
C44H80O15

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

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

Sugarmoiety:
OCC1OC(O)C(O)C(OCC(O)C(O)C(O)C(O)CO)O1

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 5 FractionCSP3: 0.91
AlogP: 5.88 Num_rotatable_bonds: 36
MolWt: 849.11 Num_heavy_atoms: 59
TPSA: 224.81 NumAromaticRings: 0

Unique Aglycone
AD01605
Formula: C9H18O2

Smiles:
CCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.89
AlogP: 2.52 Num_rotatable_bonds: 6
MolWt: 158.24 Num_heavy_atoms: 11
TPSA: 26.3 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

Sugarmoiety
SD01436

OCC1OC(O)C(O)C(OCC(O)C(O)C(O)C(O)CO)O1