Glycoside
...
GD136306

Name:
5-(acetyloxy)-6-hydroxy-2-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]oxan-3-yl 8-methylnonanoate

Formula:
C22H38O9

Smiles:
CC(=O)OC1C(O)OC(CO)C(OC(=O)CCCCCCC(C)C)C1OC(=O)C(C)C

Aglycone:
CC(C)C(=O)O.CC(C)CCCCCCC(=O)O

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 2.1 Num_rotatable_bonds: 12
MolWt: 446.54 Num_heavy_atoms: 31
TPSA: 128.59 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD55092
Formula: C10H20O2

Smiles:
CC(C)CCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 3.07 Num_rotatable_bonds: 7
MolWt: 172.27 Num_heavy_atoms: 12
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00313

CC(=O)OC1C(O)OC(CO)C(O)C1O