Glycoside
GD146956
Name:
1',4,5'-trihydroxy-2,3'-dimethyl-8'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,8-dihydro-[1,2'-binaphthalene]-5,8-dioneFormula:
C33H34O15Smiles:
Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)c3c1O)C(=O)C=CC2=OAglycone:
Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(O)c3c1O)C(=O)C=CC2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 670.62 | Num_heavy_atoms: | 48 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD58879
Formula: C22H16O6
Smiles:
Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(O)c3c1O)C(=O)C=CC2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.36 | Num_heavy_atoms: | 28 |
| TPSA: | 115.06 | NumAromaticRings: | 3 |
