Glycoside
...
GD129527

Name:
(6-{[3-(hexadecanoyloxy)-5-{[5-(hexadecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl hexadecanoate

Formula:
C94H170O26

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(OC3OC(C)C(OC(=O)CCCCCCCCCCCCCCC)C(O)C3O)C(C)OC(OC3C(C)OC4OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)OC(C)C(O)C5O)C2OC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O

Aglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:
CC1OC(OC2C(C)OC(O)OC2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 8 FractionCSP3: 0.96
AlogP: 16.33 Num_rotatable_bonds: 56
MolWt: 1716.37 Num_heavy_atoms: 120
TPSA: 359.34 NumAromaticRings: 0

Unique Aglycone
AD00263
Formula: C16H32O2

Smiles:
CCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 14
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 37.3 NumAromaticRings: 0
AD01035
Formula: C28H50O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2O
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.96
AlogP: 2.71 Num_rotatable_bonds: 4
MolWt: 546.7 Num_heavy_atoms: 38
TPSA: 144.14 NumAromaticRings: 0
AD03475
Formula: C17H34O2

Smiles:
CCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.64 Num_rotatable_bonds: 14
MolWt: 270.46 Num_heavy_atoms: 19
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD07099

CC1OC(OC2C(C)OC(O)OC2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O