Glycoside
GD135426
Name:
1-cyclohexyl-3-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)ureaFormula:
C22H31O5N3Smiles:
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: | 0.64 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.51 | Num_heavy_atoms: | 30 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
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 |
AD45502
Formula: C8H16ON2
Smiles:
CN=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
