Glycoside
GD000303
Name:
NoneFormula:
C62H67O18N5Smiles:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc2[nH]3)cc1Aglycone:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 12 |
| HBD: | 18 | FractionCSP3: | 0.35 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 1170.24 | Num_heavy_atoms: | 85 |
| TPSA: | 387.32 | NumAromaticRings: | 8 |
Unique Aglycone
AD00348
Formula: C44H37O3N5
Smiles:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1| HBA: | 8 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.09 |
| AlogP: | 8.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 683.81 | Num_heavy_atoms: | 52 |
| TPSA: | 149.87 | NumAromaticRings: | 8 |
