Glycoside
GD117933
Name:
3-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)-1-phenylureaFormula:
C22H25O5N3Smiles:
O=C(CC1OC(CN=C(O)Nc2ccccc2)C(O)C1O)N1CCc2ccccc21Aglycone:
CC(=O)N1CCc2ccccc21.CN=C(O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.46 | Num_heavy_atoms: | 30 |
| TPSA: | 114.62 | 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 |
AD46818
Formula: C8H10ON2
Smiles:
CN=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
