Glycoside
GD135798
Name:
2-O-Alpha-D-Mannosyl-1-O-{1-O-[(10S)-10-Methyloctadecanoyl]-2-O-Palmitoyl-Sn-Glycero-3-Phosphonato}-5-O-Palmitoyl-6-O-(6-O-Palmitoyl-Alpha-D-Mannosyl)-1D-Myo-InositolFormula:
C88H165O25PSmiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(OC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 16.46 | Num_rotatable_bonds: | 74 |
| MolWt: | 1654.24 | Num_heavy_atoms: | 114 |
| TPSA: | 379.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD54907
Formula: C60H115O14P
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C1O| HBA: | 14 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 14.78 | Num_rotatable_bonds: | 53 |
| MolWt: | 1091.54 | Num_heavy_atoms: | 75 |
| TPSA: | 215.58 | NumAromaticRings: | 0 |
