Glycoside
GD143568
Name:
2-hydroxy-7-methoxy-2-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,2,3,4,9,10-hexahydroanthracene-9,10-dioneFormula:
C28H36O15Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)C1=C(CCC(C)(O)C1)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)C1=C(CCC(C)(O)C1)C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD57738
Formula: C16H16O5
Smiles:
COc1cc(O)c2c(c1)C(=O)C1=C(CCC(C)(O)C1)C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
