Glycoside
...
GD121037

Name:
None

Formula:
C32H52O16

Smiles:
CCC(C)CC(=O)OC1C(OC(=O)C(C)CC)C(CO)OC(OC2(CO)OC(COC(C)=O)C(O)C2OC(C)=O)C1OC(=O)C(C)CC

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

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC1(CO)OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 3 FractionCSP3: 0.84
AlogP: 0.93 Num_rotatable_bonds: 17
MolWt: 692.75 Num_heavy_atoms: 48
TPSA: 219.88 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 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
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

Sugarmoiety
SD05738

CC(=O)OC1C(O)C(O)OC1(CO)OC1OC(CO)C(O)C(O)C1O