Glycoside
GD127988
Name:
10,11-dihydroxy-8-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docos-1(21)-en-14-oneFormula:
C28H42O10Smiles:
COC1CC(OC2CCC3(C)C4CCC5=COC6(C)OCC(OC(=O)C4CC(O)C3(O)C2)C56)OC(C)C1OAglycone:
CC12OC=C3CCC4C(CC(O)C5(O)CC(O)CCC45C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 538.63 | Num_heavy_atoms: | 38 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51849
Formula: C21H30O7
Smiles:
CC12OC=C3CCC4C(CC(O)C5(O)CC(O)CCC45C)C(=O)OC(CO1)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
