Glycoside
GD155322
Name:
Markhamioside BFormula:
C36H48O19Smiles:
COc1ccc(CCOC2OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OCC(O)(CO)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1ccc(CCO)cc1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 784.76 | Num_heavy_atoms: | 55 |
| TPSA: | 282.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
