Glycoside
GD128158
Name:
2-[4-(11,15-dichlorohexadeca-2,4,6,8,10,12,14-heptaenoyl)-1-[3-({5-[(3,4-dihydroxy-5-methyloxolan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-5-hydroxy-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]acetamideFormula:
C39H46O15N2Cl2Smiles:
CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(=O)C1=C(O)N(C2OCC(O)C(O)C2OC2OCC(OC3OC(C)C(O)C3O)C(O)C2O)C(CC(=N)O)C1=OAglycone:
CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(=O)C1=C(O)NC(CC(=N)O)C1=OSugarmoiety:
CC1OC(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.49 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 829.68 | Num_heavy_atoms: | 56 |
| TPSA: | 269.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD51914
Formula: C24H22O4N2Cl2
Smiles:
CC(Cl)=CC=CC(Cl)=CC=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 |
