Glycoside
GD039190
Name:
glucose monomycolateFormula:
C66H126O8Smiles:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CCCCCCCC)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCC)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 18.35 | Num_rotatable_bonds: | 57 |
| MolWt: | 1047.73 | Num_heavy_atoms: | 74 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD24305
Formula: C61H118O3
Smiles:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 21.18 | Num_rotatable_bonds: | 55 |
| MolWt: | 899.61 | Num_heavy_atoms: | 64 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
