Glycoside
GD019686
Name:
6-(2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-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-1-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetateFormula:
C37H54O13Smiles:
CC(=O)OC(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:
CC(=O)OC(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: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.83 | Num_heavy_atoms: | 50 |
| TPSA: | 220.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD13712
Formula: C31H44O8
Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 544.69 | Num_heavy_atoms: | 39 |
| TPSA: | 141.36 | NumAromaticRings: | 1 |
