Glycoside
GD019835
Name:
1-(2,3-dihydroxy-6-methylhepta-4,6-dien-2-yl)-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:
C35H50O11Smiles:
C=C(C)C=CC(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)C=CC(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: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.77 | Num_heavy_atoms: | 46 |
| TPSA: | 197.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD13790
Formula: C29H40O6
Smiles:
C=C(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.63 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
