Glycoside
GD095388
Name:
NoneFormula:
C18H20O7N6SSmiles:
Cn1nnc2c(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)ncn2c1=OAglycone:
Cn1nnc2c(C(=O)Nc3ccc(S)cc3)ncn2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.46 | Num_heavy_atoms: | 32 |
| TPSA: | 184.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD40714
Formula: C12H10O2N6S
Smiles:
Cn1nnc2c(C(=O)Nc3ccc(S)cc3)ncn2c1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.32 | Num_heavy_atoms: | 21 |
| TPSA: | 94.18 | NumAromaticRings: | 3 |
