Glycoside
GD126480
Name:
Man-Beta1-2-Ins-1-P-Cer(T18:0/2-Oh-24:0)Formula:
C54H106O18NPSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(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:
CCCCCCCCCCCCCCCCCCCCCCC(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: | 19 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 46 |
| MolWt: | 1088.41 | Num_heavy_atoms: | 74 |
| TPSA: | 329.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD51179
Formula: C48H96O13NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 9.02 | Num_rotatable_bonds: | 43 |
| MolWt: | 926.26 | Num_heavy_atoms: | 63 |
| TPSA: | 250.19 | NumAromaticRings: | 0 |
