Glycoside
GD129692
Name:
5,7,14,15-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxatricyclo[10.4.0.0³,â¸]hexadeca-1(16),3(8),4,6,12,14-hexaen-9-oneFormula:
C21H22O11Smiles:
O=C1CCc2cc(O)c(O)cc2Oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c21Aglycone:
O=C1CCc2cc(O)c(O)cc2Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52544
Formula: C15H12O6
Smiles:
O=C1CCc2cc(O)c(O)cc2Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
