Glycoside
GD117963
Name:
Man-1-2-Ins-1-P-Cer(T18:0/2,3-Oh-26:0)Formula:
C56H110O19NPSmiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)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)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.98 |
| AlogP: | 6.59 | Num_rotatable_bonds: | 48 |
| MolWt: | 1132.46 | Num_heavy_atoms: | 77 |
| TPSA: | 349.57 | 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 |
