Glycoside
GD038203
Name:
n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamideFormula:
C28H29O6N6FSmiles:
CCCNc1ncnc2c1ncn2[C@H]1O[C@H](C=CCNC(=O)c2cc(-c3ccc(F)cc3)cc(O)c2O)[C@H](O)[C@@H]1OAglycone:
C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O.CCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.57 | Num_heavy_atoms: | 41 |
| TPSA: | 174.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD06140
Formula: C8H10N5
Smiles:
CCCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.2 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | 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 |
