Glycoside
GD009117
Name:
NoneFormula:
C27H31O6N5Smiles:
COc1cc(OC)cc(C(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccccc2C)c1Aglycone:
COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2ccccc2C)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.57 | Num_heavy_atoms: | 38 |
| TPSA: | 144.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD05198
Formula: C22H22O2N5
Smiles:
COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2ccccc2C)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.45 | Num_heavy_atoms: | 29 |
| TPSA: | 82.73 | NumAromaticRings: | 3 |
