Glycoside
GD126413
Name:
1-(octadeca-9,12,15-trienoyloxy)-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)propanamido]methyl}oxan-2-yl)oxy]propan-2-yl 12-methyloctadeca-9,12,15-trienoateFormula:
C55H85O11NSmiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CN=C(O)CCc2ccc(O)cc2)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC(C)=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC(C)=CCC=CCC.CN=C(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 11.13 | Num_rotatable_bonds: | 37 |
| MolWt: | 936.28 | Num_heavy_atoms: | 67 |
| TPSA: | 184.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD51147
Formula: C40H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC(C)=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 11.0 | Num_rotatable_bonds: | 30 |
| MolWt: | 626.96 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD51148
Formula: C10H13O2N
Smiles:
CN=C(O)CCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
