Glycoside
GD147398
Name:
1,2,5-trimethyl-4-(2-methyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecanoyl)-2,3-dihydro-1H-pyrrol-3-oneFormula:
C30H53O8NSmiles:
CC1=C(C(=O)C(C)CCCCCCCCCCCCCCOC2OC(CO)C(O)C(O)C2O)C(=O)C(C)N1CAglycone:
CC1=C(C(=O)C(C)CCCCCCCCCCCCCCO)C(=O)C(C)N1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 19 |
| MolWt: | 555.75 | Num_heavy_atoms: | 39 |
| TPSA: | 136.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD59032
Formula: C24H43O3N
Smiles:
CC1=C(C(=O)C(C)CCCCCCCCCCCCCCO)C(=O)C(C)N1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 16 |
| MolWt: | 393.61 | Num_heavy_atoms: | 28 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
