Glycoside
GD139367
Name:
2-({2-[(2-{[6-(hexadecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C45H82O23Smiles:
CCCCCCCCCCCCCCCCOC1OC(COC2OC(C)C(O)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCOSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(OCC4OC(O)C(O)C(O)C4O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 26 |
| MolWt: | 991.13 | Num_heavy_atoms: | 68 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
Sugarmoiety
SD08435
CC1OC(OC2C(OC3C(O)C(C)OC(OCC4OC(O)C(O)C(O)C4O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O