Glycoside
GD137783
Name:
N-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamideFormula:
C25H28O7N3FSmiles:
O=C(CC1OC(CN=C(O)c2ccc3c(c2)OCO3)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.51 | Num_heavy_atoms: | 36 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD55647
Formula: C9H9O3N
Smiles:
CN=C(O)c1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 51.05 | NumAromaticRings: | 1 |
