Glycoside
GD038376
Name:
1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitolFormula:
C25H30O11N5PSmiles:
Cc1cc2c(cc1C)[n+]([C@@](O)(C(N)=O)c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1[n+]2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c(cc1C)[n+](C(O)(C(N)=O)c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1[n+]2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.32 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 607.51 | Num_heavy_atoms: | 42 |
| TPSA: | 264.25 | NumAromaticRings: | 4 |
Unique Aglycone
AD23999
Formula: C21H21O4N5
Smiles:
Cc1cc2c(cc1C)[n+](C(O)(C(N)=O)c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1[n+]2C| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 407.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.8 | NumAromaticRings: | 4 |
