Glycoside
GD000362
Name:
NoneFormula:
C38H51O18NSmiles:
COc1ccc(C=CC(=O)NCCc2ccc(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
COc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 809.82 | Num_heavy_atoms: | 57 |
| TPSA: | 281.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD00409
Formula: C18H19O3N
Smiles:
COc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.35 | Num_heavy_atoms: | 22 |
| TPSA: | 58.56 | NumAromaticRings: | 2 |
