Glycoside
GD146337
Name:
6-(2,8-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-7-{[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,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetateFormula:
C43H62O18Smiles:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c4C)C3(C)C(=O)CC12CAglycone:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(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: | 0.72 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 866.95 | Num_heavy_atoms: | 61 |
| TPSA: | 302.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD58690
Formula: C31H42O8
Smiles:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.67 | Num_heavy_atoms: | 39 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
