Glycoside
GD011473
Name:
NoneFormula:
C20H20O6N3BrSmiles:
O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NC1OC(CO)C(O)C(O)C1OAglycone:
Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.3 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD08772
Formula: C14H10ON3Br
Smiles:
Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.16 | Num_heavy_atoms: | 19 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
