Glycoside
GD157158
Name:
1-[7-({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-6-methyl-5-methylideneheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentolFormula:
C39H66O14Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)COC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OCAglycone:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)COSugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 758.94 | Num_heavy_atoms: | 53 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD57325
Formula: C28H48O6
Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
