Glycoside
GD138573
Name:
6-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-2,3-dihydro-1-benzofuran-3-oneFormula:
C28H32O15Smiles:
COc1c(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OAglycone:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OSugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD19967
Formula: C16H12O6
Smiles:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
