Glycoside
GD125765
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6b,9,9,12a-hexamethyl-14-oxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicene-4a-carboxylateFormula:
C41H64O14Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3=C(C(=O)CC4C3(C)CCC3C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3=C(C(=O)CC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD50870
Formula: C29H44O4
Smiles:
CC1CCC2(C(=O)O)CCC3=C(C(=O)CC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.67 | Num_heavy_atoms: | 33 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
