Glycoside
GD126276
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]-1-[3-({3,4-dihydroxy-5-[(4-hydroxy-3-methoxy-5-methyloxolan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl}acetamideFormula:
C46H56O16N2Cl2Smiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(Cl)C=CC=CC=CC4OC(C)CC4Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1OAglycone:
CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1Sugarmoiety:
COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 17 |
| MolWt: | 939.84 | Num_heavy_atoms: | 64 |
| TPSA: | 267.45 | 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 |
