Glycoside
GD137361
Name:
14'-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7',9',13'-tetramethylspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-3,4,16'-triolFormula:
C44H70O17Smiles:
CC1COC2(CC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1OAglycone:
CC1COC2(CC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55498
Formula: C28H44O5
Smiles:
CC1COC2(CC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
