Glycoside
GD146571
Name:
5,7',9',13'-tetramethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-11',14',16'-triolFormula:
C33H52O11Smiles:
CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC32C)OC12CCC(C)(COC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC32C)OC12CCC(C)(CO)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD58762
Formula: C27H42O6
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC32C)OC12CCC(C)(CO)O2| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
