Glycoside
...
GD030514

Name:
None

Formula:
C35H58O15

Smiles:
CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)[C@H]1O[C@@H]1OC(C)C(OC(=O)C(C)C)C(OC(C)=O)C1OC(=O)CCCC

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

Sugarmoiety:
CC(=O)OC1OC(C)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 1 FractionCSP3: 0.86
AlogP: 3.39 Num_rotatable_bonds: 18
MolWt: 718.83 Num_heavy_atoms: 50
TPSA: 188.65 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD00936
Formula: C4H10O

Smiles:
CCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.78 Num_rotatable_bonds: 2
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 20.23 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
AD01564
Formula: C5H10O2

Smiles:
CCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.26 Num_rotatable_bonds: 3
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD02963

CC(=O)OC1OC(C)OC(OC2C(O)OC(CO)C(O)C2O)C1O