Glycoside
GD123477
Name:
N-[(3,4-dihydroxy-5-{[(propan-2-yl)carbamoyl]methyl}oxolan-2-yl)methyl]acetamideFormula:
C12H22O5N2Smiles:
CC(O)=NCC1OC(CC(O)=NC(C)C)C(O)C1OAglycone:
CC(O)=NC(C)C.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.32 | Num_heavy_atoms: | 19 |
| TPSA: | 114.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
