Glycoside
GD157079
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl}octacosanoateFormula:
C98H188O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 25.13 | Num_rotatable_bonds: | 84 |
| MolWt: | 1590.57 | Num_heavy_atoms: | 112 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD62139
Formula: C87H170O4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.98 |
| AlogP: | 30.13 | Num_rotatable_bonds: | 79 |
| MolWt: | 1280.31 | Num_heavy_atoms: | 91 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
