Glycoside
GD134227
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-methylidene-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H50O13Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C4CCC3(C2)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.74 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD08291
Formula: C20H30O3
Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
