Glycoside
...
GD016010

Name:
None

Formula:
C52H86O19

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

Sugarmoiety:
OCC(O)OC(O)OC1(CO)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 0 FractionCSP3: 0.85
AlogP: 7.38 Num_rotatable_bonds: 29
MolWt: 1015.24 Num_heavy_atoms: 71
TPSA: 238.09 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
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
SD02044

OCC(O)OC(O)OC1(CO)OC(CO)C(O)C1O