Glycoside
...
GD002538

Name:
None

Formula:
C39H60O15

Smiles:
CCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2OC=C(C(=O)OC)[C@@H]3C[C@H](OC(C)=O)[C@H](C)[C@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCCCCCCCCCCCCC(=O)OC.COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 0 FractionCSP3: 0.79
AlogP: 5.38 Num_rotatable_bonds: 21
MolWt: 768.89 Num_heavy_atoms: 54
TPSA: 185.49 NumAromaticRings: 0

Unique Aglycone
AD02416
Formula: C15H30O2

Smiles:
CCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.93
AlogP: 4.86 Num_rotatable_bonds: 12
MolWt: 242.4 Num_heavy_atoms: 17
TPSA: 26.3 NumAromaticRings: 0
AD02417
Formula: C13H18O6

Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.69
AlogP: 0.6 Num_rotatable_bonds: 2
MolWt: 270.28 Num_heavy_atoms: 19
TPSA: 82.06 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O