Glycoside
GD137144
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dioneFormula:
C28H32O14Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD07716
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
