Glycoside
...
GD140491

Name:
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyl-2-{[4,5,26-trihydroxy-6-(hydroxymethyl)-24-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}oxan-3-yl dodecanoate

Formula:
C57H100O21

Smiles:
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)OC(CO)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)CC)C(O)C2O)C1O

Aglycone:
CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(CO)C(O)C3O)C2O.CCCCCCCCCCCC(=O)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 7 FractionCSP3: 0.95
AlogP: 5.45 Num_rotatable_bonds: 23
MolWt: 1121.41 Num_heavy_atoms: 78
TPSA: 294.35 NumAromaticRings: 0

Unique Aglycone
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD08049
Formula: C28H50O11

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(CO)C(O)C3O)C2O
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.96
AlogP: 1.68 Num_rotatable_bonds: 5
MolWt: 562.7 Num_heavy_atoms: 39
TPSA: 164.37 NumAromaticRings: 0

Sugarmoiety
SD00127

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