Glycoside
GD006732
Name:
1-[1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C35H52O11Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@H]([C@@](C)(O)C3CCC(C)(C)O3)[C@H](O)C[C@]12CAglycone:
Cc1c(O)c(O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD05539
Formula: C29H42O6
Smiles:
Cc1c(O)c(O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
