Glycoside
GD124362
Name:
NoneFormula:
C19H25O7N2FSmiles:
COC(=O)CCC(O)=NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1OAglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(O)CCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.41 | Num_heavy_atoms: | 29 |
| TPSA: | 141.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
AD47650
Formula: C6H11O3N
Smiles:
CN=C(O)CCC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
