Glycoside
GD126074
Name:
1-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl tetratriacont-15-enoateFormula:
C43H82O9Smiles:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC(CO)COC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 8.99 | Num_rotatable_bonds: | 37 |
| MolWt: | 743.12 | Num_heavy_atoms: | 52 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50993
Formula: C37H72O4
Smiles:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC(CO)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 11.16 | Num_rotatable_bonds: | 34 |
| MolWt: | 580.98 | Num_heavy_atoms: | 41 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
