Glycoside
GD009237
Name:
NoneFormula:
C29H32O9N4SSmiles:
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N[C@H]3[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]3OC)cccc12Aglycone:
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.66 | Num_heavy_atoms: | 43 |
| TPSA: | 188.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD07261
Formula: C22H20O4N4S
Smiles:
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.49 | Num_heavy_atoms: | 31 |
| TPSA: | 123.41 | NumAromaticRings: | 4 |
