Glycoside
GD039420
Name:
[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphateFormula:
C30H39O9N4PSmiles:
Cc1cc2c3c(c1C)C(C)(C)C[C@@H](CCc1ccccc1)N3c1c(nc(O)[nH]c1=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c3c(c1C)C(C)(C)CC(CCc1ccccc1)N3c1c(nc(O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.64 | Num_heavy_atoms: | 44 |
| TPSA: | 199.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD24400
Formula: C26H30O2N4
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC(CCc1ccccc1)N3c1c(nc(O)[nH]c1=O)N2C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.55 | Num_heavy_atoms: | 32 |
| TPSA: | 72.46 | NumAromaticRings: | 3 |
