Glycoside
GD019026
Name:
NoneFormula:
C45H77O7N3Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 34 |
| MolWt: | 772.12 | Num_heavy_atoms: | 55 |
| 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 |
AD02156
Formula: C19H36O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 296.49 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03577
Formula: C18H34O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 282.47 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
