Glycoside
GD122065
Name:
8-hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O14Smiles:
Cc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD07732
Formula: C15H10O4
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
