Glycoside
GD013579
Name:
2-(hexadecanoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadec-9-enoateFormula:
C49H90O15Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 39 |
| MolWt: | 919.24 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD05835
Formula: C37H70O5
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 10.95 | Num_rotatable_bonds: | 33 |
| MolWt: | 594.96 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
