Glycoside
GD038750
Name:
n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamideFormula:
C19H19O8N7Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C=CCNC(=O)c2cc([N+](=O)[O-])cc(O)c2O)[C@@H](O)[C@H]1OAglycone:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.4 | Num_heavy_atoms: | 34 |
| TPSA: | 232.01 | NumAromaticRings: | 3 |
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 |
AD23855
Formula: C10H10O5N2
Smiles:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.2 | Num_heavy_atoms: | 17 |
| TPSA: | 112.7 | NumAromaticRings: | 1 |
