Glycoside
GD135395
Name:
PhosphatidylinositolmannosideFormula:
C56H105O23PSmiles:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 44 |
| MolWt: | 1177.41 | Num_heavy_atoms: | 80 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47547
Formula: C44H85O13P
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 8.75 | Num_rotatable_bonds: | 38 |
| MolWt: | 853.13 | Num_heavy_atoms: | 58 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
