Glycoside
GD135702
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 octadeca-9,12,15-trienoateFormula:
C54H83O11NSmiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CN=C(O)CCc2ccc(O)cc2)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC.CN=C(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 10.74 | Num_rotatable_bonds: | 37 |
| MolWt: | 922.25 | Num_heavy_atoms: | 66 |
| TPSA: | 184.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD02397
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| 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 |
