Glycoside
GD136068
Name:
NoneFormula:
C53H82O15Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCC=CCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 35 |
| MolWt: | 959.22 | Num_heavy_atoms: | 68 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD55004
Formula: C41H62O5
Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.51 |
| AlogP: | 10.72 | Num_rotatable_bonds: | 29 |
| MolWt: | 634.94 | Num_heavy_atoms: | 46 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
