Glycoside
GD126136
Name:
2-{4-[11-chloro-17-(3-chloro-5-methyloxolan-2-yl)-1-hydroxyheptadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]-3,5-dioxo-1-(3,4,5-trihydroxyoxan-2-yl)pyrrolidin-2-yl}acetamideFormula:
C35H38O9N2Cl2Smiles:
CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)C(CC(=N)O)N(C3OCC(O)C(O)C3O)C2=O)O1Aglycone:
CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 677.58 | Num_heavy_atoms: | 46 |
| TPSA: | 180.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD51023
Formula: C30H30O5N2Cl2
Smiles:
CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 5.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 545.46 | Num_heavy_atoms: | 37 |
| TPSA: | 119.71 | NumAromaticRings: | 0 |
