Glycoside
GD039038
Name:
[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphateFormula:
C28H49O12NP2Smiles:
CC(=O)N[C@@H]1[C@@H](OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 18 |
| MolWt: | 653.64 | Num_heavy_atoms: | 43 |
| TPSA: | 201.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD24251
Formula: C20H36O7P2
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 450.45 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
