Glycoside
GD121986
Name:
4-(dimethylamino)-N-{[5-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}benzamideFormula:
C20H32O5N4Smiles:
CN(C)CCN=C(O)CC1OC(CNC(=O)c2ccc(N(C)C)cc2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.5 | Num_heavy_atoms: | 29 |
| TPSA: | 117.86 | 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 |
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 |
