Glycoside
GD038889
Name:
((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoateFormula:
C22H40O12Smiles:
CCCCCCCCCC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCC(=O)OCSugarmoiety:
COC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 14 |
| MolWt: | 496.55 | Num_heavy_atoms: | 34 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD02592
Formula: C11H22O2
Smiles:
CCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 186.29 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
