Glycoside
GD136858
Name:
3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H40O9Smiles:
CC1OC(OC2CCC3(C=O)C(=CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OAglycone:
CC12CCC3C(CC=C4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47202
Formula: C23H30O5
Smiles:
CC12CCC3C(CC=C4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
