Glycoside
GD140798
Name:
4,5-dihydroxy-2-[4'-hydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',3'a,4',7'a-hexahydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy]-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C23H34O10Smiles:
CC(=O)OC1C(OC23C=C(C)C4(CC4)C(C)(O)C2C(=O)C(C)(CO)C3)OC(CO)C(O)C1OAglycone:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.52 | Num_heavy_atoms: | 33 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49634
Formula: C15H22O4
Smiles:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
