Glycoside
GD116627
Name:
7,8-dimethyl-10-(2,3,4-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dioneFormula:
C23H30O11N4Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)COC3OC(CO)C(O)C(O)C3O)c2cc1CAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1CSugarmoiety:
OCC1OC(OCC(O)C(O)C(O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.51 | Num_heavy_atoms: | 38 |
| TPSA: | 240.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45324
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.9 | NumAromaticRings: | 1 |
