Glycoside
...
GD037335

Name:
None

Formula:
C40H72O15

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

Aglycone:
CCCCCCC(=O)O.CCCCCCC(=O)O.CCCCCCC(=O)O.CCCCCCC(=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: 0.9
AlogP: 4.32 Num_rotatable_bonds: 32
MolWt: 793.0 Num_heavy_atoms: 55
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
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
SD01436

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