Glycoside
GD124885
Name:
Man-Beta1-2-Ins-1-P-Cer(D18:0/24:0)Formula:
C54H106O16NPSmiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(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: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | 8.9 | Num_rotatable_bonds: | 46 |
| MolWt: | 1056.41 | Num_heavy_atoms: | 72 |
| TPSA: | 288.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD50483
Formula: C48H96O11NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 11.08 | Num_rotatable_bonds: | 43 |
| MolWt: | 894.27 | Num_heavy_atoms: | 61 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
