Glycoside
GD038875
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azaniumFormula:
C15H23O4N10SSmiles:
N=[N+]=NC[C@H]1O[C@H](n2c(SCCC(=O)NCCN)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
NCCNC(=O)CCSC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
N=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.48 | Num_heavy_atoms: | 30 |
| TPSA: | 224.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD24166
Formula: C10H14ON7S
Smiles:
NCCNC(=O)CCSC1=Nc2c(N)ncnc2[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 280.34 | Num_heavy_atoms: | 19 |
| TPSA: | 133.38 | NumAromaticRings: | 1 |
