Glycoside
GD149404
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(2,3,4-trihydroxycyclohexyl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H32O14Smiles:
OCC1OC(OC2C(CO)OC(OC3CCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1CCC(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -6.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.44 | Num_heavy_atoms: | 32 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47477
Formula: C6H12O4
Smiles:
OC1CCC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.16 | Num_heavy_atoms: | 10 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
