Glycoside
...
GD118292

Name:
5-({4,5-bis[(3-hydroxy-2-methylbutanoyl)oxy]-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4-hydroxy-6-methyl-2-{[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}oxan-3-yl dodecanoate

Formula:
C68H118O29

Smiles:
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(CO)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)C(C)O)C(OC(=O)C(C)C(C)O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC(O)C(C)C(=O)O.CC(O)C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(CO)C(O)C2O.CCCCCCCCCCCC(=O)O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 11 FractionCSP3: 0.94
AlogP: 2.81 Num_rotatable_bonds: 29
MolWt: 1399.66 Num_heavy_atoms: 97
TPSA: 420.03 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
AD01121
Formula: C28H50O11

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(CO)C(O)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
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00298

CC1OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O