Glycoside
GD115661
Name:
7',9',13'-trimethyl-5-methylidene-14'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-3,15',16'-triolFormula:
C33H50O11Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
C=C1COC2(OC3CC4C5CC=C6CC(O)C(O)C(O)C6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 622.75 | Num_heavy_atoms: | 44 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD45794
Formula: C27H40O6
Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)C(O)C(O)C6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
