Glycoside
GD147524
Name:
1,8-dihydroxy-6-methoxy-2-methyl-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C28H32O15Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD59074
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
