Glycoside
GD134696
Name:
1,2,4-tris(butanoyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl butanoateFormula:
C33H44O10N4Smiles:
CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(Cn1c2nc(=O)nc(O)c-2nc2cc(C)c(C)cc21)OC(=O)CCCAglycone:
CCCC=O.CCCC=O.CCCC=O.CCCC=O.Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1CSugarmoiety:
OOCC(OO)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 17 |
| MolWt: | 656.73 | Num_heavy_atoms: | 47 |
| TPSA: | 186.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD07262
Formula: C4H8O
Smiles:
CCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
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 |
