Glycoside
GD100362
Name:
NoneFormula:
C22H27O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4=CCC[N@H+](Cc5ccccc5)C4)[nH]c(=S)nc32)[C@H](O)[C@@H]1OAglycone:
S=c1nc2c(c(NC3=CCC[NH+](Cc4ccccc4)C3)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.56 | Num_heavy_atoms: | 33 |
| TPSA: | 132.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD42403
Formula: C17H18N6S
Smiles:
S=c1nc2c(c(NC3=CCC[NH+](Cc4ccccc4)C3)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.44 | Num_heavy_atoms: | 24 |
| TPSA: | 71.61 | NumAromaticRings: | 2 |
