Glycoside
GD135761
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¸]heptadec-13-ene-9-carboxylic acidFormula:
C25H34O12Smiles:
CC12C(=O)OC3(C=CC1O)C1CCC4CC1(CC4(O)COC1OC(CO)C(O)C(O)C1O)C(C(=O)O)C32Aglycone:
CC12C(=O)OC3(C=CC1O)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: | 0.84 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.54 | Num_heavy_atoms: | 37 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54891
Formula: C19H24O7
Smiles:
CC12C(=O)OC3(C=CC1O)C1CCC4CC1(CC4(O)CO)C(C(=O)O)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
