Glycoside
...
GD112647

Name:
None

Formula:
C31H52O11

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

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 0 FractionCSP3: 0.84
AlogP: 4.76 Num_rotatable_bonds: 6
MolWt: 600.75 Num_heavy_atoms: 42
TPSA: 140.73 NumAromaticRings: 0

Unique Aglycone
AD03091
Formula: C5H10O2

Smiles:
CC(C)(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 0
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD03093
Formula: C6H12O2

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

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1