Glycoside
GD139688
Name:
3-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)-1-(3-methoxyphenyl)ureaFormula:
C23H27O6N3Smiles:
COc1cccc(NC(O)=NCC2OC(CC(=O)N3CCc4ccccc43)C(O)C2O)c1Aglycone:
CC(=O)N1CCc2ccccc21.CN=C(O)Nc1cccc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.48 | Num_heavy_atoms: | 32 |
| TPSA: | 123.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | 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 |
