Glycoside
GD036457
Name:
NoneFormula:
C18H22O7N4Smiles:
O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
O=C1C2C3C=CC(C3)C2C(=O)N1CC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 158.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD22988
Formula: C12H11O2N4
Smiles:
O=C1C2C3C=CC(C3)C2C(=O)N1CC1=C[N]N=N1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.25 | Num_heavy_atoms: | 18 |
| TPSA: | 76.2 | NumAromaticRings: | 0 |
