Glycoside
GD136783
Name:
4',11'-bis(hydroxymethyl)-4',6'a,6'b,11',14'b-pentamethyl-2'-({4-[(methylamino)methyl]phenyl}methoxy)-3'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2',3',4',4'a,5',6'a,6'b,7',8',8'a,9',10',11',12',12'a,14',14'a,14'b-octadecahydro-1'H-spiro[cyclopentane-1,6'-picene]-8'a-carboxylic acidFormula:
C48H73O10NSmiles:
CNCc1ccc(COC2CC3(C)C(CC4(CCCC4)C4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CC4(CCCC4)C4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 824.11 | Num_heavy_atoms: | 59 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD55288
Formula: C43H65O6N
Smiles:
CNCc1ccc(COC2CC3(C)C(CC4(CCCC4)C4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2O)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 7.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 691.99 | Num_heavy_atoms: | 50 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
