Glycoside
GD143874
Name:
11-hydroxy-4,5,10-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-oxatricyclo[4.3.3.0¹,â¶]dodecane-3,8-dioneFormula:
C21H32O10Smiles:
CC1C(=O)CC23CC(=O)OC2(CC(O)C3C)C1(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1C(=O)CC23CC(=O)OC2(CC(O)C3C)C1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57843
Formula: C15H22O5
Smiles:
CC1C(=O)CC23CC(=O)OC2(CC(O)C3C)C1(C)CO| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
