Glycoside
GD122398
Name:
2-[3,4-dihydroxy-5-({[(propan-2-yl)carbamoyl]amino}methyl)oxolan-2-yl]-N-phenylacetamideFormula:
C17H25O5N3Smiles:
CC(C)NC(O)=NCC1OC(CC(O)=Nc2ccccc2)C(O)C1OAglycone:
CC(O)=Nc1ccccc1.CN=C(O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.4 | Num_heavy_atoms: | 25 |
| TPSA: | 126.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
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 |
