Glycoside
GD157495
Name:
3,5a,9-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydronaphtho[1,2-b]furan-2,8-dioneFormula:
C21H32O9Smiles:
CC1C(=O)OC2C1CCC1(C)C(OC3OC(CO)C(O)C(O)C3O)CC(=O)C(C)C21Aglycone:
CC1C(=O)OC2C1CCC1(C)C(O)CC(=O)C(C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD62258
Formula: C15H22O4
Smiles:
CC1C(=O)OC2C1CCC1(C)C(O)CC(=O)C(C)C21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
