Glycoside
GD139187
Name:
N-({5-[(cyclopropylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)-4-methylbenzamideFormula:
C18H24O5N2Smiles:
Cc1ccc(C(=O)NCC2OC(CC(O)=NC3CC3)C(O)C2O)cc1Aglycone:
CC(O)=NC1CC1.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 111.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
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 |
