Glycoside
GD039173
Name:
nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl esterFormula:
C52H94O15Smiles:
CCCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1OAglycone:
CCCCCCCCC=CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 41 |
| MolWt: | 959.31 | Num_heavy_atoms: | 67 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD24299
Formula: C40H74O5
Smiles:
CCCCCCCCC=CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 11.9 | Num_rotatable_bonds: | 35 |
| MolWt: | 635.03 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
