Glycoside
GD121023
Name:
N-[(3,4-dihydroxy-5-{[(prop-2-yn-1-yl)carbamoyl]methyl}oxolan-2-yl)methyl]-2-ethylbutanamideFormula:
C16H26O5N2Smiles:
C#CCN=C(O)CC1OC(CN=C(O)C(CC)CC)C(O)C1OAglycone:
C#CCN=C(C)O.CCC(CC)C(O)=NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 326.39 | Num_heavy_atoms: | 23 |
| TPSA: | 114.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD47915
Formula: C7H15ON
Smiles:
CCC(CC)C(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
