Glycoside
GD147532
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboperoxoateFormula:
C42H68O15Smiles:
C=C(C)C1CCC2(C(=O)OOC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)OO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD59077
Formula: C30H48O5
Smiles:
C=C(C)C1CCC2(C(=O)OO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
