Glycoside
GD018703
Name:
2,7-dihydroxy-1-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-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:
C35H50O11Smiles:
C=C(C)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)[C@@]3(C)C(=O)C[C@]12CAglycone:
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.77 | Num_heavy_atoms: | 46 |
| TPSA: | 194.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD13145
Formula: C29H40O6
Smiles:
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.63 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 1 |
