Glycoside
GD150738
Name:
5-formyl-6,14-dihydroxy-9-methyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-15-yl acetateFormula:
C27H42O11Smiles:
CC(=O)OC1C(O)(COC2OC(CO)C(O)C(O)C2O)C2CCC3C4(C)CCC(O)C(C=O)C4CCC31C2Aglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C=O)C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.62 | Num_heavy_atoms: | 38 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60176
Formula: C21H32O6
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C=O)C4CCC31C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.48 | Num_heavy_atoms: | 27 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
