Glycoside
GD002683
Name:
NoneFormula:
C23H31O7N7Smiles:
O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1OAglycone:
O=CNc1cc(C(O)CNCCCCNc2ncnc3c2N=C[N]3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 517.54 | Num_heavy_atoms: | 37 |
| TPSA: | 207.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD02531
Formula: C18H22O3N7
Smiles:
O=CNc1cc(C(O)CNCCCCNc2ncnc3c2N=C[N]3)ccc1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 384.42 | Num_heavy_atoms: | 28 |
| TPSA: | 145.86 | NumAromaticRings: | 2 |
