Glycoside
GD116123
Name:
2,4-bis(benzoyloxy)-1-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-5-hydroxypentan-3-yl benzoateFormula:
C38H32O9N4Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(CO)OC(=O)c3ccccc3)c2cc1CAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
OCC(OO)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 688.69 | Num_heavy_atoms: | 51 |
| TPSA: | 180.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
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 |
