Glycoside
GD150465
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C41H64O14Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD19145
Formula: C29H44O4
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 456.67 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
