Glycoside
GD152089
Name:
3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[3-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxy)propoxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O14Smiles:
CC12CCC3C(CCC4(O)CC(OCCCOCC(=O)COC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4(O)CC(OCCCOCC(=O)CO)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD60587
Formula: C29H42O9
Smiles:
CC12CCC3C(CCC4(O)CC(OCCCOCC(=O)CO)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
