Glycoside
GD118311
Name:
4,6a,6b,11,11,14b-hexamethyl-3-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C43H68O14Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 243.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47293
Formula: C37H58O9
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
