Glycoside
GD144164
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O8Smiles:
COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)OC4OC(CO)C(O)C(O)C4O)CCC23C)C1(C)CAglycone:
COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57948
Formula: C31H50O3
Smiles:
COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
