Glycoside
GD138599
Name:
1-{4-hydroxy-4-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]butan-2-yl}-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-2-yl acetateFormula:
C37H58O11Smiles:
CC(=O)OC1CC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC2(C)C1C(C)CC(O)C1(C(C)(C)O)OC1CAglycone:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C(C)CC(O)C1(C(C)(C)O)OC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 178.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD55930
Formula: C31H48O6
Smiles:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C(C)CC(O)C1(C(C)(C)O)OC1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
