Glycoside
GD122956
Name:
NoneFormula:
C51H84O15Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCC=CCCCCCAglycone:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 36 |
| MolWt: | 937.22 | Num_heavy_atoms: | 66 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD49593
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
