Glycoside
GD158135
Name:
2-{[12-hydroxy-10-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-12a-methyl-6-methylidene-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,12aH-cyclopenta[11]annulen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
C=C1CCC2C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD56408
Formula: C20H34O4
Smiles:
C=C1CCC2C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
