Glycoside
GD145124
Name:
Diglycosyi Phenol Phthiocerol DimycocerosateFormula:
C118H222O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCc1ccc(OC2OC(C)C(O)C(OC)C2OC2OC(C)C(O)C(OC)C2OC)cc1)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCc1ccc(O)cc1)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
COC1C(OC2C(O)OC(C)C(O)C2OC)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 33.79 | Num_rotatable_bonds: | 92 |
| MolWt: | 1865.06 | Num_heavy_atoms: | 132 |
| TPSA: | 166.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD58271
Formula: C103H196O6
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCc1ccc(O)cc1)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 34.47 | Num_rotatable_bonds: | 85 |
| MolWt: | 1530.69 | Num_heavy_atoms: | 109 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
