Glycoside
GD005069
Name:
NoneFormula:
C22H36O7N2Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=OAglycone:
CCCCCCCCCCCC(=O)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 13 |
| MolWt: | 440.54 | Num_heavy_atoms: | 31 |
| TPSA: | 130.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
