Glycoside
GD124761
Name:
6'-O-Mycolyltrehalose-6'PhosphateFormula:
C90H173O16PSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(COP(=O)(O)O)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC.COP(=O)(O)OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.99 |
| AlogP: | 22.7 | Num_rotatable_bonds: | 78 |
| MolWt: | 1542.33 | Num_heavy_atoms: | 107 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD50422
Formula: C79H154O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.99 |
| AlogP: | 27.59 | Num_rotatable_bonds: | 71 |
| MolWt: | 1152.1 | Num_heavy_atoms: | 82 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
