Glycoside
GD138828
Name:
3a,5a-dihydroxy-11a-methyl-1-(5-oxo-4,5-dihydrofuran-2-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H42O10Smiles:
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CCC(=O)O6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CCC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48431
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CCC(=O)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
