Glycoside
GD029537
Name:
6-(3a,6,6,9b,11a-pentamethyl-10-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylhept-2-enalFormula:
C36H56O8Smiles:
CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(C=O)=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 616.84 | Num_heavy_atoms: | 44 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD19205
Formula: C30H46O3
Smiles:
CC(C=O)=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
