Glycoside
GD117486
Name:
7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,10-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H42O9Smiles:
CC1OC(OC2CCC3(C=O)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OAglycone:
CC12CC(O)C3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46018
Formula: C23H32O6
Smiles:
CC12CC(O)C3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
