Glycoside
GD134953
Name:
25-O-Acetyl-12Beta-Acetoxycimigenol-3-O-Beta-D-XylopyranosideFormula:
C39H60O12Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)OC(C)=O)O4Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)OC(C)=O)O4Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54593
Formula: C34H52O8
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)OC(C)=O)O4| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
