Glycoside
GD135124
Name:
8-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-12-hydroxy-5,20-dimethyl-16,19,21-trioxapentacyclo[15.5.1.0â´,¹³.0âµ,¹â°.0²â°,²³]tricosa-1,10-diene-15,22-dioneFormula:
C29H40O11Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(=CC(O)C4CC(=O)OC5COC6(C)OC(=O)C(=CCC43)C56)C2)C1OAglycone:
CC12OCC3OC(=O)CC4C(O)C=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD54650
Formula: C22H28O7
Smiles:
CC12OCC3OC(=O)CC4C(O)C=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
