Glycoside
GD091752
Name:
NoneFormula:
C14H18O6N3SBrSmiles:
OC[C@H]1O[C@@](CO)(OCCn2cc(-c3ccc(Br)s3)nn2)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2ccc(Br)s2)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.28 | Num_heavy_atoms: | 25 |
| TPSA: | 130.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD40022
Formula: C8H8ON3SBr
Smiles:
OCCn1cc(-c2ccc(Br)s2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.14 | Num_heavy_atoms: | 14 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
