Glycoside
GD139903
Name:
2-[4-(9,15-dichlorohexadeca-2,4,6,8,10,12,14-heptaenoyl)-1-[3-({3,4-dihydroxy-5-[(4-hydroxy-3-methoxy-5-methyloxolan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-5-hydroxy-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]acetamideFormula:
C40H48O15N2Cl2Smiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(O)=C(C(=O)C=CC=CC=CC=C(Cl)C=CC=CC=C(C)Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1OAglycone:
CC(Cl)=CC=CC=CC(Cl)=CC=CC=CC=CC(=O)C1=C(O)NC(CC(=N)O)C1=OSugarmoiety:
COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 16 |
| MolWt: | 843.71 | Num_heavy_atoms: | 57 |
| TPSA: | 258.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD56422
Formula: C24H22O4N2Cl2
Smiles:
CC(Cl)=CC=CC=CC(Cl)=CC=CC=CC=CC(=O)C1=C(O)NC(CC(=N)O)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 449.33 | Num_heavy_atoms: | 30 |
| TPSA: | 110.48 | NumAromaticRings: | 0 |
