Glycoside
GD142914
Name:
2-[3,4-dihydroxy-5-({[(propan-2-yl)carbamoyl]amino}methyl)oxolan-2-yl]-N-(prop-2-yn-1-yl)acetamideFormula:
C14H23O5N3Smiles:
C#CCN=C(O)CC1OC(CN=C(O)NC(C)C)C(O)C1OAglycone:
C#CCN=C(C)O.CN=C(O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 313.35 | Num_heavy_atoms: | 22 |
| TPSA: | 126.9 | 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 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
