Glycoside
...
GD116882

Name:
4-hydroxy-5-[(3-hydroxy-2-methylbutanoyl)oxy]-2-methyl-6-{[6,25,26,32-tetrahydroxy-5,31-bis(hydroxymethyl)-24-methyl-7-[(2-methylbutanoyl)oxy]-10-oxo-20-pentyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.0³,⁸.0²²,²⁷]tritriacontan-33-yl]oxy}oxan-3-yl but-2-enoate

Formula:
C54H90O24

Smiles:
CC=CC(=O)OC1C(C)OC(OC2C3OC(CO)C(O)C2OC2OC(CO)C(O)C(OC(=O)C(C)CC)C2OC(=O)CCCCCCCCCC(CCCCC)OC2OC(C)C(O)C(O)C2O3)C(OC(=O)C(C)C(C)O)C1O

Aglycone:
CC(O)C(C)C(=O)O.CC=CC(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2OC(=O)C(C)CC)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 1.65 Num_rotatable_bonds: 16
MolWt: 1123.29 Num_heavy_atoms: 78
TPSA: 340.88 NumAromaticRings: 0

Unique Aglycone
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
AD04131
Formula: C4H6O2

Smiles:
CC=CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.25
AlogP: 0.65 Num_rotatable_bonds: 1
MolWt: 86.09 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD46503
Formula: C39H68O17

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2OC(=O)C(C)CC)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.95
AlogP: 1.1 Num_rotatable_bonds: 9
MolWt: 808.96 Num_heavy_atoms: 56
TPSA: 249.59 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O