Glycoside
GD002392
Name:
2-(tetradecanoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C47H82O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO[C@@H]1OC(CO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)[C@H](O)C1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 35 |
| MolWt: | 887.16 | Num_heavy_atoms: | 62 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD02288
Formula: C35H62O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 9.72 | Num_rotatable_bonds: | 29 |
| MolWt: | 562.88 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
