Glycoside
GD150121
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C17H32O11Smiles:
CC(C)CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)CCOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.43 | Num_heavy_atoms: | 28 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD22273
Formula: C5H12O
Smiles:
CC(C)CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
