Glycoside
GD131179
Name:
2-(hexadeca-7,10,13-trienoyloxy)-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-dienoateFormula:
C49H82O15Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 35 |
| MolWt: | 911.18 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48677
Formula: C37H62O5
Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 10.06 | Num_rotatable_bonds: | 29 |
| MolWt: | 586.9 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
