Glycoside
GD125773
Name:
2-[(3,5-dihydroxy-2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C39H64O13Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.93 | Num_heavy_atoms: | 52 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01953
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
