Glycoside
GD128894
Name:
4'-hydroxy-2',2',4',6'-tetramethyl-7'a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1',2',3',3'a,4',7'a-hexahydrospiro[cyclopropane-1,5'-inden]-3'-oneFormula:
C21H32O8Smiles:
CC1=CC2(OC3OC(CO)C(O)C(O)C3O)CC(C)(C)C(=O)C2C(C)(O)C12CC2Aglycone:
CC1=CC2(O)CC(C)(C)C(=O)C2C(C)(O)C12CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48689
Formula: C15H22O3
Smiles:
CC1=CC2(O)CC(C)(C)C(=O)C2C(C)(O)C12CC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
