Glycoside
GD150597
Name:
1-(5-hydroxy-8-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl)ethan-1-oneFormula:
C26H32O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(C)=O)c3c(c2c1)CCC1CCCC31Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c3c(c2c1)CCC1CCCC31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.53 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD60138
Formula: C20H22O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c3c(c2c1)CCC1CCCC31| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.39 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
