Glycoside
GD139680
Name:
[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-1-hydroxy-3,4-bis(pyridine-3-carbonyloxy)pentan-2-yl)oxy]phosphonic acidFormula:
C29H27O11N6PSmiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(OC(=O)c3cccnc3)C(OC(=O)c3cccnc3)C(CO)OP(=O)(O)O)c2cc1CAglycone:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C.O=Cc1cccnc1.O=Cc1cccnc1Sugarmoiety:
O=P(O)(O)OC(CO)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 666.54 | Num_heavy_atoms: | 47 |
| TPSA: | 246.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD12964
Formula: C6H5ON
Smiles:
O=Cc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 107.11 | Num_heavy_atoms: | 8 |
| TPSA: | 29.96 | 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 |
