Glycoside
GD128163
Name:
17-hydroxy-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:
C25H30O8Smiles:
O=C1CCCCc2ccc(O)c(c2)-c2cc(ccc2OC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
O=C1CCCCc2ccc(O)c(c2)-c2cc(ccc2O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD51917
Formula: C19H20O3
Smiles:
O=C1CCCCc2ccc(O)c(c2)-c2cc(ccc2O)CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 296.37 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
