Glycoside
GD117193
Name:
3,8-dihydroxy-16,17-dimethoxy-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,â¶]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-oneFormula:
C27H34O11Smiles:
COc1c2cc(c(OC3OC(CO)C(O)C(O)C3O)c1OC)CCCCC(=O)C(O)Cc1ccc(O)c-2c1Aglycone:
COc1c2cc(c(O)c1OC)CCCCC(=O)C(O)Cc1ccc(O)c-2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD46684
Formula: C21H24O6
Smiles:
COc1c2cc(c(O)c1OC)CCCCC(=O)C(O)Cc1ccc(O)c-2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
