Glycoside
GD118839
Name:
6-({[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-2,6,7-trimethyltricyclo[5.2.2.0¹,âµ]undecane-3,8-dioneFormula:
C26H40O12Smiles:
CC1C(=O)CC2C13CCC(C)(C(=O)C3)C2(C)COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C(=O)CC2C13CCC(C)(C(=O)C3)C2(C)COSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47551
Formula: C15H22O3
Smiles:
CC1C(=O)CC2C13CCC(C)(C(=O)C3)C2(C)CO| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
