Glycoside
GD132181
Name:
2-({5-chloro-4,6-dihydroxy-2,3,10-trioxatricyclo[5.3.1.0â´,â¸]undecan-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H21O11ClSmiles:
OCC1OC(OC2OC3CC4C(O)C(Cl)C(O)(OO3)C24)C(O)C(O)C1OAglycone:
OC1OC2CC3C(O)C(Cl)C(O)(OO2)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.76 | Num_heavy_atoms: | 26 |
| TPSA: | 167.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53512
Formula: C9H11O6Cl
Smiles:
OC1OC2CC3C(O)C(Cl)C(O)(OO2)C13| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 238.62 | Num_heavy_atoms: | 15 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
