Glycoside
GD111442
Name:
NoneFormula:
C30H34O10N2Smiles:
C=CCc1cc(C(=O)Nc2c(O)c3ccc(C[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)ccc1OAglycone:
C=CCc1cc(C(=O)Nc2c(O)c3ccc(C)c(C)c3oc2=O)ccc1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.61 | Num_heavy_atoms: | 42 |
| TPSA: | 190.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD44717
Formula: C21H19O5N
Smiles:
C=CCc1cc(C(=O)Nc2c(O)c3ccc(C)c(C)c3oc2=O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.39 | Num_heavy_atoms: | 27 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
