Glycoside

GD125214
Name:
5'-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-9'-hydroxy-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.0¹,¹³.0²,â·]heptadecane]-3-carboxylic acidFormula:
C32H42O15Smiles:
CC1(C)OC2CC(=O)OCC23C1C(O)C(=O)C1(C)C3CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)OAglycone:
CC1(C)OC2CC(=O)OCC23C1C(O)C(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.78 |
AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
MolWt: | 666.67 | Num_heavy_atoms: | 47 |
TPSA: | 235.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD50633
Formula: C26H32O10
Smiles:
CC1(C)OC2CC(=O)OCC23C1C(O)C(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OHBA: | 10 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.73 |
AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
MolWt: | 504.53 | Num_heavy_atoms: | 36 |
TPSA: | 156.03 | NumAromaticRings: | 1 |