Glycoside
...
GD130350

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

Formula:
C59H102O24

Smiles:
CCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)OC(C)C(O)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(O1)OC(C)C(O)C3O)C2O.CCCCCCCC(=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: 3.77 Num_rotatable_bonds: 20
MolWt: 1195.44 Num_heavy_atoms: 83
TPSA: 333.04 NumAromaticRings: 0

Unique Aglycone
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
AD01626
Formula: C28H50O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)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
AD04095
Formula: C8H16O2

Smiles:
CCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.43 Num_rotatable_bonds: 6
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00140

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