Glycoside
...
GD106437

Name:
None

Formula:
C31H42O21

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

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 1
HBD: 0 FractionCSP3: 0.68
AlogP: -0.71 Num_rotatable_bonds: 16
MolWt: 750.66 Num_heavy_atoms: 52
TPSA: 272.23 NumAromaticRings: 0

Unique Aglycone
AD44179
Formula: C5H8O4

Smiles:
CC(=O)OC(C)C(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.6
AlogP: 0.02 Num_rotatable_bonds: 2
MolWt: 132.12 Num_heavy_atoms: 9
TPSA: 63.6 NumAromaticRings: 0
AD44180
Formula: C6H10O4

Smiles:
COC(=O)C(C)OC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.11 Num_rotatable_bonds: 2
MolWt: 146.14 Num_heavy_atoms: 10
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD01013

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