Glycoside
GD156760
Name:
10-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[13.2.2.1³,â·]icosa-1(17),3(20),4,6,15,18-hexaen-12-oneFormula:
C25H30O9Smiles:
O=C1CCc2ccc(cc2)Oc2cc(ccc2OC2OC(CO)C(O)C(O)C2O)CCC(O)C1Aglycone:
O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.51 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD62040
Formula: C19H20O4
Smiles:
O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCC(O)C1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.37 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
