Glycoside

GD025021
Name:
NoneFormula:
C44H58O16Smiles:
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)CCCAglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.CCCC(=O)Oc1ccc(C(=O)c2c(O)cc(OC)cc2OC(=O)CCC)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)O1Other 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)OHBA: | 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)OCHBA: | 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)cc1HBA: | 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 |