Glycoside
GD038201
Name:
[[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azaniumFormula:
C13H19O3N8Smiles:
NC(=[NH2+])NCC=C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
C=CCNC(N)=[NH2+].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.35 | Num_heavy_atoms: | 24 |
| TPSA: | 182.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23900
Formula: C4H10N3
Smiles:
C=CCNC(N)=[NH2+]| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 100.15 | Num_heavy_atoms: | 7 |
| TPSA: | 63.64 | NumAromaticRings: | 0 |
