Glycoside
GD119747
Name:
5-hydroxy-2-methyl-1-[(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:
C27H30O13Smiles:
Cc1ccc2c(c1OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C(=O)c1cccc(O)c1C2=OAglycone:
Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD48032
Formula: C15H10O4
Smiles:
Cc1ccc2c(c1O)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 |
