Glycoside
GD151136
Name:
6-(2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)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:
C43H64O18Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12CAglycone:
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(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 868.97 | Num_heavy_atoms: | 61 |
| TPSA: | 299.66 | 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 |
