Glycoside
GD113681
Name:
NoneFormula:
C38H26O8N5Br3Smiles:
O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)c2ccccc2Br)[C@@H](OC(=O)c2ccccc2Br)[C@H]1OC(=O)c1ccccc1Br)c1ccccc1Aglycone:
COC(=O)c1ccccc1Br.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1.O=C(O)c1ccccc1Br.O=C(O)c1ccccc1BrSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 920.37 | Num_heavy_atoms: | 54 |
| TPSA: | 160.83 | NumAromaticRings: | 6 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD44823
Formula: C8H7O2Br
Smiles:
COC(=O)c1ccccc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.05 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44824
Formula: C7H5O2Br
Smiles:
O=C(O)c1ccccc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.02 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
