Glycoside
GD155352
Name:
2-{[14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-5-yl]methoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H54O13Smiles:
CC1(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3Aglycone:
CC1(CO)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.77 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46879
Formula: C20H34O3
Smiles:
CC1(CO)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
