Glycoside
GD151774
Name:
2-{[5-hydroxy-6-(hydroxymethyl)-2-{6-methoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C45H72O17Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.05 | Num_heavy_atoms: | 62 |
| TPSA: | 244.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50952
Formula: C28H44O4
Smiles:
COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
