Glycoside
GD157250
Name:
8-hydroxy-2-methyl-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,4-dihydronaphthalene-1,4-dioneFormula:
C22H26O13Smiles:
CC1=CC(=O)c2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)ccc(O)c2C1=OAglycone:
CC1=CC(=O)c2c(O)ccc(O)c2C1=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.44 | Num_heavy_atoms: | 35 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD62140
Formula: C11H8O4
Smiles:
CC1=CC(=O)c2c(O)ccc(O)c2C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.18 | Num_heavy_atoms: | 15 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
