Glycoside
GD037967
Name:
1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitolFormula:
C22H30O9N4PSmiles:
Cc1cc2c3c(c1C)C(C)(C)CC=[N+]3c1c([nH]c(=O)[nH]c1=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c3c(c1C)C(C)(C)CC=[N+]3c1c([nH]c(=O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 525.48 | Num_heavy_atoms: | 36 |
| TPSA: | 199.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD23804
Formula: C18H21O2N4
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC=[N+]3c1c([nH]c(=O)[nH]c1=O)N2C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.39 | Num_heavy_atoms: | 24 |
| TPSA: | 71.97 | NumAromaticRings: | 2 |
