Glycoside
GD038238
Name:
(16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acidFormula:
C22H31O12N4PSSmiles:
Cc1cc2c3c(c1C)C(C)(C)C[C@@H](S(=O)(=O)O)N3c1c([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(S(=O)(=O)O)N3c1c([nH]c(=O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.55 | Num_heavy_atoms: | 40 |
| TPSA: | 254.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD23926
Formula: C18H22O5N4S
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC(S(=O)(=O)O)N3c1c([nH]c(=O)[nH]c1=O)N2C| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.46 | Num_heavy_atoms: | 28 |
| TPSA: | 126.57 | NumAromaticRings: | 2 |
