Glycoside
GD153759
Name:
6,12-dihydroxy-11-methyl-16-oxo-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadecane-9-carboxylic acidFormula:
C25H36O12Smiles:
CC12C(=O)OC3(CCC1O)C1CCC4CC1(CC4(O)COC1OC(CO)C(O)C(O)C1O)C(C(=O)O)C32Aglycone:
CC12C(=O)OC3(CCC1O)C1CCC4CC1(CC4(O)CO)C(C(=O)O)C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61123
Formula: C19H26O7
Smiles:
CC12C(=O)OC3(CCC1O)C1CCC4CC1(CC4(O)CO)C(C(=O)O)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
