Glycoside
GD131488
Name:
Ins-1-P-6-Man-1-2-Ins-1-P-Cer(D18:0/2-Oh-26:0)Formula:
C62H121O25NP2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(COP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC.COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.98 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 52 |
| MolWt: | 1342.58 | Num_heavy_atoms: | 90 |
| TPSA: | 445.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD48257
Formula: C7H15O9P
Smiles:
COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.16 | Num_heavy_atoms: | 17 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
AD53268
Formula: C50H100O12NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 10.83 | Num_rotatable_bonds: | 45 |
| MolWt: | 938.32 | Num_heavy_atoms: | 64 |
| TPSA: | 229.96 | NumAromaticRings: | 0 |
