Glycoside
GD030699
Name:
NoneFormula:
C32H29O7N5S2Smiles:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3cccc5ccccc35)n4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2c1Aglycone:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3N=C(SCc3cccc5ccccc35)[N]4)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 659.75 | Num_heavy_atoms: | 46 |
| TPSA: | 178.98 | NumAromaticRings: | 6 |
Unique Aglycone
AD19853
Formula: C27H20O3N5S2
Smiles:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3N=C(SCc3cccc5ccccc35)[N]4)cc2c1| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.62 | Num_heavy_atoms: | 37 |
| TPSA: | 117.7 | NumAromaticRings: | 5 |
