Glycoside
GD123026
Name:
N-{[5-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}-4-methylbenzamideFormula:
C19H29O5N3Smiles:
Cc1ccc(C(=O)NCC2OC(CC(O)=NCCN(C)C)C(O)C2O)cc1Aglycone:
CC(O)=NCCN(C)C.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 379.46 | Num_heavy_atoms: | 27 |
| TPSA: | 114.62 | 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 |
AD45401
Formula: C6H14ON2
Smiles:
CC(O)=NCCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
