Glycoside
GD142972
Name:
6-hydroxy-3,5a-dimethyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-2-oneFormula:
C21H32O9Smiles:
CC1C(=O)OC2C1CCC1(C)C(O)CC=C(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(=O)OC2C1CCC1(C)C(O)CC=C(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57524
Formula: C15H22O4
Smiles:
CC1C(=O)OC2C1CCC1(C)C(O)CC=C(CO)C21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
