Glycoside

GD153053
Name:
3-(2-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5-[3-methyl-2-(propan-2-yl)oxiran-2-yl]oxolan-2-oneFormula:
C35H52O10Smiles:
CC(C)C1(C2CC(C3C(O)CC4C5=CCC6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5=CCC43C)C(=O)O2)OC1CAglycone:
CC(C)C1(C2CC(C3C(O)CC4C5=CCC6CC(O)CCC6(C)C5=CCC43C)C(=O)O2)OC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.86 |
AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
MolWt: | 632.79 | Num_heavy_atoms: | 45 |
TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD60896
Formula: C29H42O5
Smiles:
CC(C)C1(C2CC(C3C(O)CC4C5=CCC6CC(O)CCC6(C)C5=CCC43C)C(=O)O2)OC1CHBA: | 5 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.83 |
AlogP: | 4.56 | Num_rotatable_bonds: | 3 |
MolWt: | 470.65 | Num_heavy_atoms: | 34 |
TPSA: | 79.29 | NumAromaticRings: | 0 |