Glycoside
GD119621
Name:
2-{[3-(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6-dihydroxy-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-inden-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H42O18Smiles:
OCC1OC(Oc2c(O)cc(C3c4c(cc(O)c(OC5OC(CO)C(O)C(O)C5O)c4O)C(=Cc4ccc(O)cc4)C3c3ccc(O)cc3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=C2c3cc(O)c(O)c(O)c3C(c3cc(O)c(O)c(O)c3)C2c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.35 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 810.76 | Num_heavy_atoms: | 58 |
| TPSA: | 320.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD47960
Formula: C28H22O8
Smiles:
Oc1ccc(C=C2c3cc(O)c(O)c(O)c3C(c3cc(O)c(O)c(O)c3)C2c2ccc(O)cc2)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.07 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.48 | Num_heavy_atoms: | 36 |
| TPSA: | 161.84 | NumAromaticRings: | 4 |
