Glycoside
GD151387
Name:
Man-1-2-Ins-1-P-Cer(D18:0/2-Oh-26:0)Formula:
C56H110O17NPSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)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)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | 8.65 | Num_rotatable_bonds: | 48 |
| MolWt: | 1100.46 | Num_heavy_atoms: | 75 |
| TPSA: | 309.11 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
