Glycoside
GD152357
Name:
8-{[3,4-dihydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1,10-diene-14,21-dioneFormula:
C40H58O16Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CCC6C(=O)OC7COC8(C)OC(=O)C(=CCC65)C78)C4)C(O)C3O)OC2C)OC(C)C1OAglycone:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)C(O)C3O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 794.89 | Num_heavy_atoms: | 56 |
| TPSA: | 207.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD02276
Formula: C21H26O6
Smiles:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
