Glycoside
GD127216
Name:
RoseoflavinFormula:
C18H23O6N5Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1N(C)CAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1N(C)CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 165.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD51513
Formula: C14H15O2N5
Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1N(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.31 | Num_heavy_atoms: | 21 |
| TPSA: | 84.14 | NumAromaticRings: | 1 |
