Glycoside
GD128710
Name:
7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-6,14,15,16,17,18,19,20-octolFormula:
C33H54O15Smiles:
C=C(CCC1(O)OC2CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 690.78 | Num_heavy_atoms: | 48 |
| TPSA: | 270.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52133
Formula: C27H44O10
Smiles:
C=C(CO)CCC1(O)OC2CC3C4C(O)C(O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 10 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.64 | Num_heavy_atoms: | 37 |
| TPSA: | 191.3 | NumAromaticRings: | 0 |
