Glycoside
...
GD022225

Name:
None

Formula:
C39H58O14

Smiles:
CC(C)(C)OC[C@@H]1O[C@H](O[C@@H]2OC(=O)C=C3C(=O)C=C(COC(=O)C(C)(C)C)[C@H]32)[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)OCC1=CC(=O)C2=CC(=O)OC(O)C12.COC(C)(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 0 FractionCSP3: 0.74
AlogP: 4.94 Num_rotatable_bonds: 9
MolWt: 750.88 Num_heavy_atoms: 53
TPSA: 176.26 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
AD15095
Formula: C14H16O6

Smiles:
CC(C)(C)C(=O)OCC1=CC(=O)C2=CC(=O)OC(O)C12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.5 Num_rotatable_bonds: 2
MolWt: 280.28 Num_heavy_atoms: 20
TPSA: 89.9 NumAromaticRings: 0
AD15096
Formula: C5H12O

Smiles:
COC(C)(C)C
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.43 Num_rotatable_bonds: 0
MolWt: 88.15 Num_heavy_atoms: 6
TPSA: 9.23 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O