Glycoside
GD115236
Name:
3-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)-1-(3-methoxyphenyl)ureaFormula:
C25H32O6N4Smiles:
COc1cccc(NC(O)=NCC2OC(CC(=O)N3CCN(c4ccccc4)CC3)C(O)C2O)c1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CN=C(O)Nc1cccc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.55 | Num_heavy_atoms: | 35 |
| TPSA: | 127.09 | 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 |
AD45546
Formula: C9H12O2N2
Smiles:
CN=C(O)Nc1cccc(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 53.85 | NumAromaticRings: | 1 |
