Glycoside
GD146388
Name:
Ins-1-P-6-Man-1-2-Ins-1-P-Cer(T18:0/2,3-Oh-26:0)Formula:
C62H121O27NP2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(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)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC.COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.98 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 52 |
| MolWt: | 1374.58 | Num_heavy_atoms: | 92 |
| TPSA: | 486.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD47106
Formula: C50H100O14NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 15 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | 8.77 | Num_rotatable_bonds: | 45 |
| MolWt: | 970.32 | Num_heavy_atoms: | 66 |
| TPSA: | 270.42 | NumAromaticRings: | 0 |
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 |
