Glycoside
GD124104
Name:
2-[5-(5,6-dihydroxy-6-methylheptan-2-yl)-2-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H34O8Smiles:
Cc1ccc(C(C)CCC(O)C(C)(C)O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1ccc(C(C)CCC(O)C(C)(C)O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD50111
Formula: C15H24O3
Smiles:
Cc1ccc(C(C)CCC(O)C(C)(C)O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.35 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
