Glycoside
GD114174
Name:
3-({3,4-dihydroxy-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]oxolan-2-yl}methyl)-1-(3-fluorophenyl)ureaFormula:
C18H24O5N3FSmiles:
O=C(CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1O)N1CCCC1Aglycone:
CC(=O)N1CCCC1.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.4 | Num_heavy_atoms: | 27 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD44877
Formula: C8H9ON2F
Smiles:
CN=C(O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
