Glycoside
GD135755
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-ethenyl-2-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylateFormula:
C26H40O8Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CCC(O)C3(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C2(C)CCC(O)C3(C)C(=O)O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54888
Formula: C20H30O3
Smiles:
C=CC1(C)CCC2C(=CCC3C2(C)CCC(O)C3(C)C(=O)O)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
