Glycoside
GD155321
Name:
3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H42O12Smiles:
CC12C(O)CC3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 582.64 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD06932
Formula: C23H32O7
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
