Glycoside
GD113877
Name:
NoneFormula:
C38H35O7N5Smiles:
COc1ccc(C(O[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 673.73 | Num_heavy_atoms: | 50 |
| TPSA: | 139.08 | 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 |
AD44523
Formula: C21H20O3
Smiles:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.39 | Num_heavy_atoms: | 24 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
