Glycoside
GD038101
Name:
n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamideFormula:
C19H18O8N6Smiles:
O=C(NCC=C[C@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc(O)c1OAglycone:
C1=Nc2cncnc2[N]1.C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.39 | Num_heavy_atoms: | 33 |
| TPSA: | 205.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | 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 |
