Glycoside
GD116554
Name:
2-{4-[11,15-dichloro-15-(3-chloro-5-methyloxolan-2-yl)-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]-3,5-dioxo-1-(3,4,5-trihydroxyoxan-2-yl)pyrrolidin-2-yl}acetamideFormula:
C34H35O9N2Cl3Smiles:
CC1CC(Cl)C(C(Cl)=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(Cl)=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: | 0.39 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 685.99 | Num_heavy_atoms: | 45 |
| TPSA: | 180.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD46303
Formula: C29H27O5N2Cl3
Smiles:
CC1CC(Cl)C(C(Cl)=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: | 0.27 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 553.87 | Num_heavy_atoms: | 36 |
| TPSA: | 119.71 | NumAromaticRings: | 0 |
