Glycoside
GD037251
Name:
NoneFormula:
C23H32O9N2Smiles:
COc1cc(-c2nc(C(C)C)c(C(C)C)[nH]2)cc(OC)c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(-c2nc(C(C)C)c(C(C)C)[nH]2)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.51 | Num_heavy_atoms: | 34 |
| TPSA: | 163.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD23479
Formula: C17H24O3N2
Smiles:
COc1cc(-c2nc(C(C)C)c(C(C)C)[nH]2)cc(OC)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 67.37 | NumAromaticRings: | 2 |
