Glycoside
GD149203
Name:
1-({3,4-dihydroxy-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]oxolan-2-yl}methyl)-3-(propan-2-yl)ureaFormula:
C15H27O5N3Smiles:
CC(C)NC(O)=NCC1OC(CC(=O)N2CCCC2)C(O)C1OAglycone:
CC(=O)N1CCCC1.CN=C(O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.4 | Num_heavy_atoms: | 23 |
| TPSA: | 114.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
