Glycoside
GD131007
Name:
2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzofuran-3-oneFormula:
C27H30O15Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(c3)OC(=Cc3ccc(O)c(O)c3)C4=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD20542
Formula: C15H10O6
Smiles:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
