Glycoside
GD037472
Name:
NoneFormula:
C49H52O8N6Smiles:
COc1cccc(Cn2cc(COC[C@@H]3O[C@H](OCc4cn(Cc5cccc(OC)c5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)c1Aglycone:
COCc1cn(Cc2cccc(OC)c2)nn1.COc1cccc(Cn2cc(CO)nn2)c1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 7.2 | Num_rotatable_bonds: | 22 |
| MolWt: | 852.99 | Num_heavy_atoms: | 63 |
| TPSA: | 135.26 | NumAromaticRings: | 7 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00890
Formula: C11H13O2N3
Smiles:
COc1cccc(Cn2cc(CO)nn2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 219.24 | Num_heavy_atoms: | 16 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
AD23596
Formula: C12H15O2N3
Smiles:
COCc1cn(Cc2cccc(OC)c2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 49.17 | NumAromaticRings: | 2 |
