Glycoside
...
GD132599

Name:
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({24,25,26-trihydroxy-5-methyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.3.1.1³,⁷]hexacosan-6-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate

Formula:
C62H108O24

Smiles:
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)COC(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)CC)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 8 FractionCSP3: 0.95
AlogP: 4.94 Num_rotatable_bonds: 24
MolWt: 1237.52 Num_heavy_atoms: 86
TPSA: 333.04 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
AD53688
Formula: C27H48O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O)COC(O1)C3O)C2O
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.96
AlogP: 2.32 Num_rotatable_bonds: 4
MolWt: 532.67 Num_heavy_atoms: 37
TPSA: 144.14 NumAromaticRings: 0

Sugarmoiety
SD00140

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O