Glycoside

GD143294
Name:
5'-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-9'-hydroxy-5',7',11',11'-tetramethyl-8',16'-dioxo-12'-oxaspiro[oxirane-2,6'-tetracyclo[8.3.3.0¹,¹â°.0²,â·]hexadecan]-14'-ene-3-carboxylic acidFormula:
C32H40O14Smiles:
CC1(C)OCC23C=CC(=O)C12C(O)C(=O)C1(C)C3CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)OAglycone:
CC1(C)OCC23C=CC(=O)C12C(O)C(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.72 |
AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
MolWt: | 648.66 | Num_heavy_atoms: | 46 |
TPSA: | 225.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD57644
Formula: C26H30O9
Smiles:
CC1(C)OCC23C=CC(=O)C12C(O)C(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OHBA: | 9 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.65 |
AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
MolWt: | 486.52 | Num_heavy_atoms: | 35 |
TPSA: | 146.8 | NumAromaticRings: | 1 |