Glycoside
GD034055
Name:
NoneFormula:
C23H27O6N7SSmiles:
COc1ccc2[nH]cc(CCNC(=O)CSc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2c1Aglycone:
COc1ccc2[nH]cc(CCNC(=O)CSC3=Nc4c(N)ncnc4[N]3)c2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.58 | Num_heavy_atoms: | 37 |
| TPSA: | 193.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD08041
Formula: C18H18O2N7S
Smiles:
COc1ccc2[nH]cc(CCNC(=O)CSC3=Nc4c(N)ncnc4[N]3)c2c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.46 | Num_heavy_atoms: | 28 |
| TPSA: | 132.38 | NumAromaticRings: | 3 |
