Glycoside
GD001080
Name:
NoneFormula:
C32H58O8N2Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H]1CCC(NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C)C(=O)NC1Aglycone:
C=CC(C)(C)C.CCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)NC1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 20 |
| MolWt: | 598.82 | Num_heavy_atoms: | 42 |
| TPSA: | 154.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00410
Formula: C6H12
Smiles:
C=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD01128
Formula: C20H38O3N2
Smiles:
CCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)NC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 354.54 | Num_heavy_atoms: | 25 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
