Glycoside
GD029990
Name:
NoneFormula:
C30H59O8NSmiles:
CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COCC(O)CO)[C@H](O)[C@H](O)[C@H]1NC(=O)CCCCAglycone:
CCCCC(N)=O.CCCCCCCCCCCCCCCCO.COCC(O)COSugarmoiety:
OC(O)O.OCOCC(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 25 |
| MolWt: | 561.8 | Num_heavy_atoms: | 39 |
| TPSA: | 137.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD00025
Formula: C5H11ON
Smiles:
CCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD00404
Formula: C4H10O3
Smiles:
COCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
