Glycoside
GD038206
Name:
n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamideFormula:
C27H27O7N6FSmiles:
O=C(NCC=C[C@H]1O[C@H](n2cnc3c(NCCO)ncnc32)[C@H](O)[C@@H]1O)c1cc(-c2ccc(F)cc2)cc(O)c1OAglycone:
C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O.OCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.55 | Num_heavy_atoms: | 41 |
| TPSA: | 195.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD08491
Formula: C7H8ON5
Smiles:
OCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.18 | Num_heavy_atoms: | 13 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
AD23826
Formula: C16H14O3NF
Smiles:
C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.29 | Num_heavy_atoms: | 21 |
| TPSA: | 69.56 | NumAromaticRings: | 2 |
