Glycoside
GD127324
Name:
14'-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-8',15',16'-triolFormula:
C38H60O14Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)C(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD51558
Formula: C27H42O6
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1(O)C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
