Glycoside
GD020779
Name:
NoneFormula:
C53H93O7N3Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCCCCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 13.73 | Num_rotatable_bonds: | 42 |
| MolWt: | 884.34 | Num_heavy_atoms: | 63 |
| TPSA: | 142.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06390
Formula: C22H42O2
Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 19 |
| MolWt: | 338.58 | Num_heavy_atoms: | 24 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD14293
Formula: C23H44O2
Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 352.6 | Num_heavy_atoms: | 25 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
