Glycoside
GD151017
Name:
1-hydroxy-6,7,8-trimethoxy-2-methyl-3-[(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:
C36H46O21Smiles:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(OC3OC(COC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)c(C)c1O)C2=OAglycone:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(O)c(C)c1O)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: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 814.74 | Num_heavy_atoms: | 57 |
| TPSA: | 319.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD58969
Formula: C18H16O7
Smiles:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(O)c(C)c1O)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 2 |
