Glycoside
GD034344
Name:
NoneFormula:
C31H27O6N5S2Smiles:
Nc1nc(SCc2cc3ccccc3oc2=O)c2nc(SCc3cccc4ccccc34)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3cc4ccccc4oc3=O)n1)N=C(SCc1cccc3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 629.72 | Num_heavy_atoms: | 44 |
| TPSA: | 169.75 | NumAromaticRings: | 6 |
Unique Aglycone
AD21839
Formula: C26H18O2N5S2
Smiles:
Nc1nc2c(c(SCc3cc4ccccc4oc3=O)n1)N=C(SCc1cccc3ccccc13)[N]2| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 108.47 | NumAromaticRings: | 5 |
