Glycoside
GD016413
Name:
NoneFormula:
C29H61O6N3Smiles:
CCCCCCCCCCCCCCCCOC[C@H](CO[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NCCCN)OCAglycone:
CCCCCCCCCCCCCCCCOCC(CO)OC.NCCCNSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 26 |
| MolWt: | 547.82 | Num_heavy_atoms: | 38 |
| TPSA: | 141.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00892
Formula: C20H42O3
Smiles:
CCCCCCCCCCCCCCCCOCC(CO)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 19 |
| MolWt: | 330.55 | Num_heavy_atoms: | 23 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD11821
Formula: C3H10N2
Smiles:
NCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.13 | Num_heavy_atoms: | 5 |
| TPSA: | 52.04 | NumAromaticRings: | 0 |
