Glycoside
GD152966
Name:
2-{3-[(2,3-dihydroxy-5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]-4-hydroxy-5-methylphenyl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O14Smiles:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC2CC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1OAglycone:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC2CC(C)C(O)C(O)C2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.59 | Num_heavy_atoms: | 43 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD60862
Formula: C23H26O9
Smiles:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC2CC(C)C(O)C(O)C2O)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
