Glycoside
GD128791
Name:
Ins-1-P-6-Man-Beta1-2-Ins-1-P-Cer(D18:0/24:0)Formula:
C60H117O24NP2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(COP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O)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)CCCCCCCCCCCCCCC.COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.98 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 50 |
| MolWt: | 1298.53 | Num_heavy_atoms: | 87 |
| TPSA: | 425.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD48257
Formula: C7H15O9P
Smiles:
COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.16 | Num_heavy_atoms: | 17 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
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 |
