Glycoside
GD139154
Name:
Manpβ1â€2Inositol1â€Phosphoâ€CeramideFormula:
C18H34O16NPSmiles:
CC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)OAglycone:
CC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -5.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 551.44 | Num_heavy_atoms: | 36 |
| TPSA: | 288.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD56112
Formula: C12H24O11NP
Smiles:
CC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(C)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.29 | Num_heavy_atoms: | 25 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
