Glycoside
GD144777
Name:
2-(5-{[(cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxyoxolan-2-yl)-N-phenylacetamideFormula:
C20H29O5N3Smiles:
OC(CC1OC(CN=C(O)NC2CCCCC2)C(O)C1O)=Nc1ccccc1Aglycone:
CC(O)=Nc1ccccc1.CN=C(O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.47 | Num_heavy_atoms: | 28 |
| TPSA: | 126.9 | 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 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
