Glycoside
GD155723
Name:
2,6,7-trimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tricyclo[5.2.2.0¹,âµ]undecane-3,8-dioneFormula:
C21H32O8Smiles:
CC1C(=O)CC2C13CCC(C)(C(=O)C3)C2(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1C(=O)CC2C13CCC(C)(C(=O)C3)C2(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | 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 |
