Glycoside
GD099750
Name:
NoneFormula:
C20H23O6N5SSmiles:
C[C@@H](Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1)C(=O)OAglycone:
CC(Nc1nc2c(c(SCc3ccccc3)n1)N=C[N]2)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42312
Formula: C15H14O2N5S
Smiles:
CC(Nc1nc2c(c(SCc3ccccc3)n1)N=C[N]2)C(=O)O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.38 | Num_heavy_atoms: | 23 |
| TPSA: | 101.57 | NumAromaticRings: | 2 |
