Glycoside
GD020248
Name:
NoneFormula:
C56H106O13Smiles:
CCCCCCCCCC(CCCCCCCCC)CCC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)CCC(CCCCCCCCC)CCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCC(CCCCCCCCC)CCC(=O)OC.CCCCCCCCCC(CCCCCCCCC)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: | 11.06 | Num_rotatable_bonds: | 44 |
| MolWt: | 987.45 | Num_heavy_atoms: | 69 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD14014
Formula: C23H46O2
Smiles:
CCCCCCCCCC(CCCCCCCCC)CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.96 |
| AlogP: | 7.84 | Num_rotatable_bonds: | 19 |
| MolWt: | 354.62 | Num_heavy_atoms: | 25 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
