Glycoside
GD154099
Name:
3a-hydroxy-7-{[6-(hydroxymethyl)-3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C39H60O16Smiles:
COC1C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OCAglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
COC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.89 | Num_heavy_atoms: | 55 |
| TPSA: | 229.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
