Glycoside

GD151344
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-docosahydropicene-4a-carboxylateFormula:
C36H60O8Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.97 |
AlogP: | 4.57 | Num_rotatable_bonds: | 3 |
MolWt: | 620.87 | Num_heavy_atoms: | 44 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48782
Formula: C30H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.97 |
AlogP: | 7.31 | Num_rotatable_bonds: | 1 |
MolWt: | 458.73 | Num_heavy_atoms: | 33 |
TPSA: | 57.53 | NumAromaticRings: | 0 |