Glycoside
GD148617
Name:
1-(5-hydroxy-8-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,11aH-cyclopenta[a]phenanthren-4-yl)ethan-1-oneFormula:
C26H30O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(C)=O)c3c(c2c1)C=CC1CCCC31Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c3c(c2c1)C=CC1CCCC31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.52 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD59458
Formula: C20H20O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c3c(c2c1)C=CC1CCCC31| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.38 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
