Glycoside
...
GD025737

Name:
None

Formula:
C44H82O13

Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCC

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

Sugarmoiety:
OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)O1

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 6 FractionCSP3: 0.95
AlogP: 6.67 Num_rotatable_bonds: 34
MolWt: 819.13 Num_heavy_atoms: 57
TPSA: 201.67 NumAromaticRings: 0

Unique Aglycone
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
AD03475
Formula: C17H34O2

Smiles:
CCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.64 Num_rotatable_bonds: 14
MolWt: 270.46 Num_heavy_atoms: 19
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD02671

OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)O1