Glycoside
...
GD136352

Name:
None

Formula:
C55H102O20

Smiles:
CCCCCCCCCC(CCCCCCCC(C)=O)OC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(OCCCC)C(OCCCC)C1OC1OC(C)C(O)C(OCCCC)C1O

Aglycone:
CCCCCCCCCC(O)CCCCCCCC(C)=O.CCCCO.CCCCO.CCCCO

Sugarmoiety:
CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 8 FractionCSP3: 0.98
AlogP: 4.63 Num_rotatable_bonds: 38
MolWt: 1083.4 Num_heavy_atoms: 75
TPSA: 280.44 NumAromaticRings: 0

Unique Aglycone
AD00936
Formula: C4H10O

Smiles:
CCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.78 Num_rotatable_bonds: 2
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 20.23 NumAromaticRings: 0
AD02100
Formula: C19H38O2

Smiles:
CCCCCCCCCC(O)CCCCCCCC(C)=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.95
AlogP: 5.81 Num_rotatable_bonds: 16
MolWt: 298.51 Num_heavy_atoms: 21
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00523

CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O