Glycoside
GD031772
Name:
NoneFormula:
C52H98O13Smiles:
CCCCCCCCC(CCCCCCCC)CCC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)CCC(CCCCCCCC)CCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCC(CCCCCCCC)CCC(=O)OC.CCCCCCCCC(CCCCCCCC)CCC(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 9.5 | Num_rotatable_bonds: | 40 |
| MolWt: | 931.34 | Num_heavy_atoms: | 65 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD20448
Formula: C21H42O2
Smiles:
CCCCCCCCC(CCCCCCCC)CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 7.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 326.56 | Num_heavy_atoms: | 23 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
