Glycoside
GD022614
Name:
NoneFormula:
C32H63O9NSmiles:
CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COCC(CO)(CO)CO)[C@H](O)[C@H](O)[C@H]1NC(=O)CCCCAglycone:
CCCCC(N)=O.CCCCCCCCCCCCCCCCO.COCC(CO)(CO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 27 |
| MolWt: | 605.85 | Num_heavy_atoms: | 42 |
| TPSA: | 157.94 | 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 |
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 |
AD06485
Formula: C6H14O4
Smiles:
COCC(CO)(CO)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 150.17 | Num_heavy_atoms: | 10 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
