Glycoside
GD157171
Name:
NoneFormula:
C60H94O29Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(OC4OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C4OC4OC(CO)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CC(=O)C13Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.9 |
| AlogP: | -4.71 | Num_rotatable_bonds: | 19 |
| MolWt: | 1279.38 | Num_heavy_atoms: | 89 |
| TPSA: | 459.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00886
Formula: C30H44O4
Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
Sugarmoiety
SD10547
OCC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C(O)C1O