Glycoside
GD142258
Name:
5-(5-hydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 2-methylpropanoateFormula:
C30H52O8Smiles:
CC1=CCC2C(C)(C)C(OC(=O)C(C)C)C(OC3OC(C)C(O)C(O)C3O)CC2(C)C1CCC(C)CCOAglycone:
CC1=CCC2C(C)(C)C(OC(=O)C(C)C)C(O)CC2(C)C1CCC(C)CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.74 | Num_heavy_atoms: | 38 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57257
Formula: C24H42O4
Smiles:
CC1=CCC2C(C)(C)C(OC(=O)C(C)C)C(O)CC2(C)C1CCC(C)CCO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.6 | Num_heavy_atoms: | 28 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
