Glycoside
GD014253
Name:
7-{[3-(acetyloxy)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C34H50O11Smiles:
CO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@@]43O)C2)O[C@@H](C)[C@H]1OAglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.76 | Num_heavy_atoms: | 45 |
| TPSA: | 147.05 | 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 |
