Glycoside
GD035327
Name:
NoneFormula:
C27H38O12N8Smiles:
O=C(NCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
O=C(NCC1=C[N]N=N1)C1C2C=CC(C2)C1C(=O)NCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -5.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.65 | Num_heavy_atoms: | 47 |
| TPSA: | 299.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD22364
Formula: C15H16O2N8
Smiles:
O=C(NCC1=C[N]N=N1)C1C2C=CC(C2)C1C(=O)NCC1=C[N]N=N1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.35 | Num_heavy_atoms: | 25 |
| TPSA: | 135.84 | NumAromaticRings: | 0 |
