Glycoside
GD008491
Name:
NoneFormula:
C23H21O6N3SSmiles:
O=C(Nc1cccc2cccnc12)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2c1Aglycone:
O=C(Nc1cccc2cccnc12)c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.5 | Num_heavy_atoms: | 33 |
| TPSA: | 145.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD06776
Formula: C17H11ON3S
Smiles:
O=C(Nc1cccc2cccnc12)c1ccc2scnc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.36 | Num_heavy_atoms: | 22 |
| TPSA: | 54.88 | NumAromaticRings: | 4 |
