Glycoside
GD098080
Name:
NoneFormula:
C19H20O6N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCc4ccc5c(c4)OCO5)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCc1ccc2c(c1)OCO2)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.47 | Num_heavy_atoms: | 32 |
| TPSA: | 156.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD41733
Formula: C14H11O2N6S
Smiles:
S=C(NCc1ccc2c(c1)OCO2)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.35 | Num_heavy_atoms: | 23 |
| TPSA: | 94.76 | NumAromaticRings: | 2 |