Glycoside
GD039693
Name:
(2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoateFormula:
C45H84O10Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 9.56 | Num_rotatable_bonds: | 38 |
| MolWt: | 785.16 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD24508
Formula: C39H74O5
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 11.73 | Num_rotatable_bonds: | 35 |
| MolWt: | 623.02 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
