Glycoside
GD152726
Name:
3a,5a-dihydroxy-7-({4-hydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H52O13Smiles:
CC1OC(OC2C(O)CC(OC3CCC4(C=O)C5CCC6(C)C(C7=CC(=O)OC7)CCC6(O)C5CCC4(O)C3)OC2C)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.79 | Num_heavy_atoms: | 48 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00229
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
