Glycoside
GD017751
Name:
NoneFormula:
C21H21O6N3Br2Smiles:
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OC(CO)C(O)C(O)C1OAglycone:
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 571.22 | Num_heavy_atoms: | 32 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD10104
Formula: C15H11ON3Br2
Smiles:
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 409.08 | Num_heavy_atoms: | 21 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
