Glycoside
GD040539
Name:
2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitolFormula:
C39H79O8PSmiles:
CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)C[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(C)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 9.03 | Num_rotatable_bonds: | 30 |
| MolWt: | 707.03 | Num_heavy_atoms: | 48 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD24804
Formula: C33H69O3P
Smiles:
CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(C)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 11.82 | Num_rotatable_bonds: | 27 |
| MolWt: | 544.89 | Num_heavy_atoms: | 37 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
