Glycoside
...
GD135038

Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,5-bis[(2-methylbutanoyl)oxy]-6-{[(2-methylbutanoyl)oxy]methyl}oxan-4-yl hexanoate

Formula:
C33H56O15

Smiles:
CCCCCC(=O)OC1C(OC(=O)C(C)CC)C(COC(=O)C(C)CC)OC(OC2(CO)OC(CO)C(O)C2O)C1OC(=O)C(C)CC

Aglycone:
CCC(C)C(=O)O.CCC(C)C(=O)O.CCC(C)C(=O)OC.CCCCCC(=O)O

Sugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)OC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.88
AlogP: 1.53 Num_rotatable_bonds: 19
MolWt: 692.8 Num_heavy_atoms: 48
TPSA: 213.81 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
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
AD17547
Formula: C6H12O2

Smiles:
CCC(C)C(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD04720

OCC1OC(OC2(CO)OC(CO)C(O)C2O)OC(O)C1O