Glycoside
GD038920
Name:
azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azaniumFormula:
C15H18O4N9SSmiles:
C#CCNC(=O)CSc1nc2c(N)ncnc2n1[C@H]1O[C@H](CN=[N+]=N)[C@H](O)[C@@H]1OAglycone:
C#CCNC(=O)CSC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
N=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.44 | Num_heavy_atoms: | 29 |
| TPSA: | 198.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD16206
Formula: C10H9ON6S
Smiles:
C#CCNC(=O)CSC1=Nc2c(N)ncnc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.29 | Num_heavy_atoms: | 18 |
| TPSA: | 107.36 | NumAromaticRings: | 1 |
