Glycoside
GD001507
Name:
NoneFormula:
C19H21O7N5Smiles:
C[C@]1(O)C(n2cnc3c(N(O)C(=O)OCc4ccccc4)ncnc32)O[C@H](CO)[C@H]1OAglycone:
O=C(OCc1ccccc1)N(O)c1ncnc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.41 | Num_heavy_atoms: | 31 |
| TPSA: | 163.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD01506
Formula: C13H10O3N5
Smiles:
O=C(OCc1ccccc1)N(O)c1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.25 | Num_heavy_atoms: | 21 |
| TPSA: | 102.01 | NumAromaticRings: | 2 |
