Glycoside
GD040274
Name:
(2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diolFormula:
C20H23O4N5Smiles:
NC1N=CN[C@@H]2[C@H]1C=CN2[C@H]1O[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1OAglycone:
COc1ccc2cccnc2c1.NC1N=CNC2NC=CC12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.44 | Num_heavy_atoms: | 29 |
| TPSA: | 125.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD22913
Formula: C10H9ON
Smiles:
COc1ccc2cccnc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
AD24712
Formula: C6H10N4
Smiles:
NC1N=CNC2NC=CC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 62.44 | NumAromaticRings: | 0 |
