Glycoside
GD038379
Name:
[(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphateFormula:
C17H23O11N4PSmiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C1=NC(=O)NC(=O)[C@@]1(OO)N2Aglycone:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(OO)N2Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.36 | Num_heavy_atoms: | 33 |
| TPSA: | 230.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD24002
Formula: C13H14O4N4
Smiles:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(OO)N2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.28 | Num_heavy_atoms: | 21 |
| TPSA: | 103.26 | NumAromaticRings: | 1 |
