Glycoside
GD138223
Name:
N-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)-2-ethylbutanamideFormula:
C23H35O5N3Smiles:
CCC(CC)C(O)=NCC1OC(CC(=O)N2CCN(c3ccccc3)CC2)C(O)C1OAglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CCC(CC)C(O)=NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 433.55 | Num_heavy_atoms: | 31 |
| TPSA: | 105.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD47915
Formula: C7H15ON
Smiles:
CCC(CC)C(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
