Glycoside
GD155912
Name:
Man-Beta1-2-Ins-1-P-Cer(T18:0/2,3-Oh-24:0)Formula:
C54H106O19NPSmiles:
CCCCCCCCCCCCCCCCCCCCCC(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:
CCCCCCCCCCCCCCCCCCCCCC(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: | 5.81 | Num_rotatable_bonds: | 46 |
| MolWt: | 1104.4 | Num_heavy_atoms: | 75 |
| TPSA: | 349.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD60513
Formula: C48H96O14NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(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: | 7.99 | Num_rotatable_bonds: | 43 |
| MolWt: | 942.26 | Num_heavy_atoms: | 64 |
| TPSA: | 270.42 | NumAromaticRings: | 0 |
