Glycoside
GD030813
Name:
NoneFormula:
C31H31O8N3Smiles:
O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 573.6 | Num_heavy_atoms: | 42 |
| TPSA: | 156.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD19929
Formula: C25H20O3N3
Smiles:
O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCC2=C[N]N=N2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 410.45 | Num_heavy_atoms: | 31 |
| TPSA: | 74.35 | NumAromaticRings: | 3 |
