Glycoside
...
GD133489

Name:
Purgic_Acid_B

Formula:
C53H94O29

Smiles:
CCCCCCC(CCCCCCCCCC(=O)O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O

Aglycone:
CCCCCCC(O)CCCCCCCCCC(=O)O

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(OC4C(OC5C(O)OC(C)C(O)C5O)OC(CO)C(O)C4O)OC(C)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 16 FractionCSP3: 0.98
AlogP: -4.03 Num_rotatable_bonds: 29
MolWt: 1195.31 Num_heavy_atoms: 82
TPSA: 451.51 NumAromaticRings: 0

Unique Aglycone
AD09746
Formula: C17H34O3

Smiles:
CCCCCCC(O)CCCCCCCCCC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.94
AlogP: 4.91 Num_rotatable_bonds: 15
MolWt: 286.46 Num_heavy_atoms: 20
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04573

CC1OC(OC2C(OC3C(O)C(OC4C(OC5C(O)OC(C)C(O)C5O)OC(CO)C(O)C4O)OC(C)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O