Glycoside
...
GD016143

Name:
None

Formula:
C51H77O22P

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)O[C@@H]2O[C@H](COC(=O)CCC)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]2OC(=O)CCC)[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)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.CCCC(=O)OC.O=P(O)(O)OCc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OOC(O)C(O)O1

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 0 FractionCSP3: 0.73
AlogP: 7.75 Num_rotatable_bonds: 33
MolWt: 1073.13 Num_heavy_atoms: 74
TPSA: 273.62 NumAromaticRings: 1

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
AD11660
Formula: C7H9O4P

Smiles:
O=P(O)(O)OCc1ccccc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.3 Num_rotatable_bonds: 3
MolWt: 188.12 Num_heavy_atoms: 12
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00954

OCC1OC(O)C(O)C(O)C1O.OCC1OOC(O)C(O)O1