Glycoside
GD153790
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)-5,6-dihydroxy-2-methylheptan-2-yl acetateFormula:
C43H66O18Smiles:
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: | 11 | FractionCSP3: | 0.81 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 870.98 | Num_heavy_atoms: | 61 |
| TPSA: | 302.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD53692
Formula: C31H46O8
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: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.7 | Num_heavy_atoms: | 39 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
