Glycoside
GD121218
Name:
N-({5-[(cyclopropylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)acetamideFormula:
C12H20O5N2Smiles:
CC(O)=NCC1OC(CC(O)=NC2CC2)C(O)C1OAglycone:
CC(O)=NC1CC1.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 114.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | 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 |
