Glycoside
GD141737
Name:
19-(benzyloxy)-15-cyclohexyl-8,17-bis(hydroxymethyl)-1,2,8,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C49H70O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)C6C=CC(CC43C)C5C(C)(CO)C(OC3OCC(O)C(O)C3O)C6OCc3ccccc3)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 6.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 819.09 | Num_heavy_atoms: | 59 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD57077
Formula: C44H62O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1| HBA: | 6 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 7.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 686.97 | Num_heavy_atoms: | 50 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
