Glycoside
GD131502
Name:
2-[(5-hydroxy-6-{16-hydroxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-8-yl}-2-methylhept-2-en-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H58O9Smiles:
CC(C)=CC(OC1OC(CO)C(O)C(O)C1O)C(O)C(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CAglycone:
CC(C)=CC(O)C(O)C(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD20390
Formula: C30H48O4
Smiles:
CC(C)=CC(O)C(O)C(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
