Glycoside
GD158151
Name:
7,9,13-trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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¸]icos-18-ene-6,15,16-triolFormula:
C39H62O16Smiles:
C=C(CCC1(O)OC2CC3C4CC=C5CC(O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 786.91 | Num_heavy_atoms: | 55 |
| TPSA: | 268.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD62448
Formula: C27H42O6
Smiles:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
