Glycoside
GD030559
Name:
NoneFormula:
C20H19O6N3ClBrSmiles:
O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2ccc(Br)cn12Aglycone:
O=c1n(Cc2ccccc2Cl)nc2ccc(Br)cn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.73 | Num_heavy_atoms: | 30 |
| TPSA: | 129.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD19770
Formula: C14H9ON3ClBr
Smiles:
O=c1n(Cc2ccccc2Cl)nc2ccc(Br)cn12| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.59 | Num_heavy_atoms: | 19 |
| TPSA: | 39.3 | NumAromaticRings: | 3 |
