Glycoside
GD115669
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4',5,5,5',9',10'-hexamethylspiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane]-5'-carboxylateFormula:
C31H50O9Smiles:
CC1(C)OCC2(CC34CCC5(C)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)CCCC5(C)C3(C)CCC2C4)O1Aglycone:
CC1(C)OCC2(CC34CCC5(C)C(C)(C(=O)O)CCCC5(C)C3(C)CCC2C4)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45802
Formula: C25H40O4
Smiles:
CC1(C)OCC2(CC34CCC5(C)C(C)(C(=O)O)CCCC5(C)C3(C)CCC2C4)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.59 | Num_heavy_atoms: | 29 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
