Glycoside
GD116980
Name:
3-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)-1-(4-methylphenyl)ureaFormula:
C25H32O5N4Smiles:
Cc1ccc(NC(O)=NCC2OC(CC(=O)N3CCN(c4ccccc4)CC3)C(O)C2O)cc1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.55 | Num_heavy_atoms: | 34 |
| TPSA: | 117.86 | NumAromaticRings: | 2 |
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 |
AD46565
Formula: C9H12ON2
Smiles:
CN=C(O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
