Glycoside
GD120881
Name:
1,2,3,6-tetramethoxy-7-methyl-8-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C37H48O21Smiles:
COc1cc2c(c(OC3OC(COC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=OAglycone:
COc1cc2c(c(O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=OSugarmoiety:
CC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 828.77 | Num_heavy_atoms: | 58 |
| TPSA: | 308.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD48603
Formula: C19H18O7
Smiles:
COc1cc2c(c(O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 91.29 | NumAromaticRings: | 2 |
