Glycoside
GD131298
Name:
2-{[7-hydroxy-6-(hydroxymethyl)-1-(6-methoxy-6-methylhept-4-en-2-yl)-3a,6,9b,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H62O9Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)CO)C3(C)CCC12CAglycone:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)CO)C3(C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.89 | Num_heavy_atoms: | 46 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53198
Formula: C31H52O4
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)CO)C3(C)CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
