Glycoside
GD015680
Name:
NoneFormula:
C22H35O8NSmiles:
CCCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](COCC(O)CO)O[C@H]1OCCc1ccccc1Aglycone:
CCCCC(N)=O.COCC(O)CO.OCCc1ccccc1Sugarmoiety:
OC(O)O.OCOCC(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 13 |
| MolWt: | 441.52 | Num_heavy_atoms: | 31 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
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 |
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
