Glycoside
...
GD036706

Name:
None

Formula:
C41H74O15

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

Aglycone:
CCCCCCC(=O)O.CCCCCCC(=O)O.CCCCCCC(=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: 0.9
AlogP: 4.71 Num_rotatable_bonds: 33
MolWt: 807.03 Num_heavy_atoms: 56
TPSA: 224.81 NumAromaticRings: 0

Unique Aglycone
AD03255
Formula: C7H14O2

Smiles:
CCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 2.04 Num_rotatable_bonds: 5
MolWt: 130.19 Num_heavy_atoms: 9
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
AD09204
Formula: C8H16O2

Smiles:
CCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.88
AlogP: 2.13 Num_rotatable_bonds: 5
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01449

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