Glycoside
GD009620
Name:
NoneFormula:
C22H23O6N7SSmiles:
CN(C)c1cccc2c(S(=O)(=O)NC(=O)[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)NC=O)cccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 513.54 | Num_heavy_atoms: | 36 |
| TPSA: | 185.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07528
Formula: C13H14O3N2S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NC=O)cccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.33 | Num_heavy_atoms: | 19 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
