Glycoside
GD107359
Name:
NoneFormula:
C28H37O5N9SSmiles:
CN(C)c1cccc2c(S(=O)(=O)NCCCCNc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CN4CC4)[C@H](O)[C@H]3O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)NCCCCNC3=Nc4c(N)ncnc4[N]3)cccc12Sugarmoiety:
OC1OC(CN2CC2)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 611.73 | Num_heavy_atoms: | 43 |
| TPSA: | 183.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD44301
Formula: C21H25O2N8S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCCCCNC3=Nc4c(N)ncnc4[N]3)cccc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 453.55 | Num_heavy_atoms: | 32 |
| TPSA: | 139.7 | NumAromaticRings: | 3 |
