Glycoside
GD151335
Name:
NoneFormula:
C20H28O9N2Smiles:
COC(=O)COCC(O)=NCC1OC(CC(O)=NCc2ccc(OC)cc2)C(O)C1OAglycone:
CN=C(O)COCC(=O)OC.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
AD55369
Formula: C6H11O4N
Smiles:
CN=C(O)COCC(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 161.16 | Num_heavy_atoms: | 11 |
| TPSA: | 68.12 | NumAromaticRings: | 0 |
