Glycoside
GD039299
Name:
[(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphateFormula:
C27H39O9N4PSmiles:
CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c2[nH]c(=O)[nH]c(=O)c21Aglycone:
CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 594.6 | Num_heavy_atoms: | 41 |
| TPSA: | 199.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD24341
Formula: C23H30O2N4
Smiles:
CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.52 | Num_heavy_atoms: | 29 |
| TPSA: | 72.2 | NumAromaticRings: | 2 |
