Glycoside
...
GD117086

Name:
None

Formula:
C30H52O14

Smiles:
CCC(C)CC(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(OC(=O)CC(C)C)C1OC(=O)CCCC(C)C

Aglycone:
CC(C)CC(=O)O.CC(C)CCCC(=O)O.CCC(C)CC(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 5 FractionCSP3: 0.9
AlogP: 0.57 Num_rotatable_bonds: 17
MolWt: 636.73 Num_heavy_atoms: 44
TPSA: 207.74 NumAromaticRings: 0

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=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
AD19106
Formula: C6H12O2

Smiles:
CCC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.51 Num_rotatable_bonds: 3
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD46627
Formula: C7H14O2

Smiles:
CC(C)CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 1.9 Num_rotatable_bonds: 4
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD01148

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