Glycoside
GD035473
Name:
NoneFormula:
C30H59O11N5Smiles:
CCCCCCCCCCC(=O)OCC[C@@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](O)[C@H](N)[C@H]1OAglycone:
CCCCCCCCCCC(=O)OCC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.97 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 17 |
| MolWt: | 665.83 | Num_heavy_atoms: | 46 |
| TPSA: | 294.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD22438
Formula: C13H26O2
Smiles:
CCCCCCCCCCC(=O)OCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 214.35 | Num_heavy_atoms: | 15 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
