Glycoside
GD153249
Name:
17-hydroxy-5-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,â¶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-oneFormula:
C26H32O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2cc1CCC(=O)CCCCc1ccc(O)c-2c1Aglycone:
COc1cc(O)c2cc1CCC(=O)CCCCc1ccc(O)c-2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.53 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD60964
Formula: C20H22O4
Smiles:
COc1cc(O)c2cc1CCC(=O)CCCCc1ccc(O)c-2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 326.39 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
