Glycoside
GD151108
Name:
2-{[8,9-dihydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C40H66O13Smiles:
C=C(C)C1CCC2(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 754.95 | Num_heavy_atoms: | 53 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55861
Formula: C28H46O3
Smiles:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
