Glycoside
...
GD012733

Name:
None

Formula:
C36H60O16

Smiles:
CC(C)CC(=O)OC[C@@H]1O[C@@](COC(=O)C(C)C)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C

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

Sugarmoiety:
OCC1OC(O)C(O)(OC2OC(CO)C(O)C(O)C2O)O1

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 3 FractionCSP3: 0.86
AlogP: 2.2 Num_rotatable_bonds: 19
MolWt: 748.86 Num_heavy_atoms: 52
TPSA: 219.88 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
AD01210
Formula: C5H10O2

Smiles:
COC(=O)C(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.82 Num_rotatable_bonds: 1
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD01663
Formula: C6H12O2

Smiles:
COC(=O)CC(C)C
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
SD01771

OCC1OC(O)C(O)(OC2OC(CO)C(O)C(O)C2O)O1