Glycoside
GD148755
Name:
N-({5-[(cyclopropylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)-4-(dimethylamino)benzamideFormula:
C19H27O5N3Smiles:
CN(C)c1ccc(C(=O)NCC2OC(CC(O)=NC3CC3)C(O)C2O)cc1Aglycone:
CC(O)=NC1CC1.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.44 | Num_heavy_atoms: | 27 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD35315
Formula: C10H14ON2
Smiles:
CNC(=O)c1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | 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 |
