Glycoside
GD157919
Name:
3',6'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneFormula:
C32H32O15Smiles:
O=C1OC2(c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3Oc3cc(OC4OC(CO)C(O)C(O)C4O)ccc32)c2ccccc21Aglycone:
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.59 | Num_heavy_atoms: | 47 |
| TPSA: | 234.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD43965
Formula: C20H12O5
Smiles:
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 332.31 | Num_heavy_atoms: | 25 |
| TPSA: | 75.99 | NumAromaticRings: | 3 |
