Glycoside
GD137268
Name:
Globosumoside BFormula:
C19H25O9ClSmiles:
CCCc1c(Cl)c(OC)cc(O)c1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCc1c(O)c(O)cc(OC)c1Cl.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.84 | Num_heavy_atoms: | 28 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55466
Formula: C11H13O3Cl
Smiles:
CCCc1c(O)c(O)cc(OC)c1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.66 | Num_heavy_atoms: | 14 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
