Glycoside
GD137029
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,6-pentolFormula:
C34H58O11Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4OC)C(O)C3C(O)CC12O)C(C)COAglycone:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.83 | Num_heavy_atoms: | 45 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD55378
Formula: C28H48O7
Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.69 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
