Glycoside
...
GD025021

Name:
None

Formula:
C44H58O16

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](Oc2cc(OC)cc(OC(=O)CCC)c2C(=O)c2ccc(OC(=O)CCC)cc2)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.CCCC(=O)Oc1ccc(C(=O)c2c(O)cc(OC)cc2OC(=O)CCC)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 0 FractionCSP3: 0.57
AlogP: 6.92 Num_rotatable_bonds: 24
MolWt: 842.93 Num_heavy_atoms: 60
TPSA: 202.56 NumAromaticRings: 2

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD16638
Formula: C22H24O7

Smiles:
CCCC(=O)Oc1ccc(C(=O)c2c(O)cc(OC)cc2OC(=O)CCC)cc1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.32
AlogP: 4.04 Num_rotatable_bonds: 9
MolWt: 400.43 Num_heavy_atoms: 29
TPSA: 99.13 NumAromaticRings: 2

Sugarmoiety
SD01013

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