Glycoside
GD147209
Name:
N-benzyl-2-(5-{[(cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxyoxolan-2-yl)-N-methylacetamideFormula:
C22H33O5N3Smiles:
CN(Cc1ccccc1)C(=O)CC1OC(CN=C(O)NC2CCCCC2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.52 | Num_heavy_atoms: | 30 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD45502
Formula: C8H16ON2
Smiles:
CN=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
