Glycoside
GD154528
Name:
2-[(4,5-dihydroxy-2-{[6-hydroxy-10-(hydroxymethyl)-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹â´,¹â¹]henicos-19-en-17-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C39H62O13Smiles:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(CO)C2C1CAglycone:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(CO)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD49810
Formula: C27H42O4
Smiles:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(CO)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
