Glycoside
GD120817
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,10,11-trihydroxy-2,9,9-tris(hydroxymethyl)-1,6a,6b,12a-tetramethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H58O13Smiles:
CC1C2C3=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1(O)COAglycone:
CC1C2C3=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 698.85 | Num_heavy_atoms: | 49 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48578
Formula: C30H48O8
Smiles:
CC1C2C3=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(O)CO| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.71 | Num_heavy_atoms: | 38 |
| TPSA: | 158.68 | NumAromaticRings: | 0 |
