Glycoside
GD114438
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[2-oxo-1-(2-oxoethoxy)ethoxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C40H62O11Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC(C=O)OCC=O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(C=O)OCC=O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD45056
Formula: C34H52O6
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(C=O)OCC=O)C(C)(C)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.78 | Num_heavy_atoms: | 40 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
