Glycoside
GD150006
Name:
3a,7-dihydroxy-1-(2-hydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H54O10Smiles:
CC(C)(CCCC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CCCC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.79 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59949
Formula: C27H44O5
Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
