Glycoside
GD119009
Name:
2-(5-{[(cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxyoxolan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamideFormula:
C22H33O6N3Smiles:
COc1ccc(CN=C(O)CC2OC(CN=C(O)NC3CCCCC3)C(O)C2O)cc1Aglycone:
CN=C(O)NC1CCCCC1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.52 | Num_heavy_atoms: | 31 |
| TPSA: | 136.13 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
