Glycoside
GD009209
Name:
NoneFormula:
C30H39O6N6SSmiles:
COc1ccc(C(O)CN(C)Cc2ccccc2)cc1CC[S+](C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1ccc(C(O)CN(C)Cc2ccccc2)cc1CC[S+](C)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 611.75 | Num_heavy_atoms: | 43 |
| TPSA: | 161.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07242
Formula: C21H30O3NS
Smiles:
COc1ccc(C(O)CN(C)Cc2ccccc2)cc1CC[S+](C)OC| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 376.54 | Num_heavy_atoms: | 26 |
| TPSA: | 41.93 | NumAromaticRings: | 2 |
