Glycoside
GD149646
Name:
7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-9-({4-[(methylamino)methyl]phenyl}methoxy)-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹âµ.0³,¹².0â¶,¹¹.0²â°,²âµ]pentacos-14-ene-25-carboxylic acidFormula:
C47H71O10NSmiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 810.08 | Num_heavy_atoms: | 58 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD59823
Formula: C42H63O6N
Smiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2O)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 677.97 | Num_heavy_atoms: | 49 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
