Glycoside
...
GD039372

Name:
[(2~{r})-3-[[(1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{r},3~{s},4~{s},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{r})-10-methyldodecanoate

Formula:
C74H133O39P

Smiles:
CCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@@H]3O)[C@H]2OP(=O)(O)OC[C@H](COC(=O)CCCCCCCC[C@H](C)CC)OC(=O)CCCCCCCCCC)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:
CCCCCCCCCCC(=O)OC.CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 6
HBD: 20 FractionCSP3: 0.96
AlogP: -2.34 Num_rotatable_bonds: 52
MolWt: 1677.81 Num_heavy_atoms: 114
TPSA: 611.33 NumAromaticRings: 0

Unique Aglycone
AD20013
Formula: C12H24O2

Smiles:
CCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.92
AlogP: 3.69 Num_rotatable_bonds: 9
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 26.3 NumAromaticRings: 0
AD24377
Formula: C33H63O13P

Smiles:
CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O
HBA: 13 RingCount: 1
HBD: 6 FractionCSP3: 0.94
AlogP: 4.46 Num_rotatable_bonds: 27
MolWt: 698.83 Num_heavy_atoms: 47
TPSA: 209.51 NumAromaticRings: 0

Sugarmoiety
SD03477

OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O