Glycoside
GD006808
Name:
NoneFormula:
C32H32O6N10S2Smiles:
Nc1ncnc2c1nc(-c1ccccc1)n2[C@H]1O[C@@H](CSSC[C@H]2O[C@@H](n3c(-c4ccccc4)nc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(c1ccccc1)[N]2.Nc1ncnc2c1N=C(c1ccccc1)[N]2Sugarmoiety:
OC1OC(CSSCC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 716.81 | Num_heavy_atoms: | 50 |
| TPSA: | 238.62 | NumAromaticRings: | 6 |
Unique Aglycone
AD05547
Formula: C11H8N5
Smiles:
Nc1ncnc2c1N=C(c1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
