Glycoside
GD139805
Name:
1-hydroxy-3-{1-[3-(hydroxymethyl)phenyl]cyclopentyl}-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C32H34O10Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(C3(c4cccc(CO)c4)CCCC3)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(C3(c4cccc(CO)c4)CCCC3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.61 | Num_heavy_atoms: | 42 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD56381
Formula: C26H24O5
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(C3(c4cccc(CO)c4)CCCC3)=CC12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.47 | Num_heavy_atoms: | 31 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
