Glycoside

GD121833
Name:
5'-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.6.0.0¹,¹³.0²,â·]hexadecane]-3-carboxylic acidFormula:
C31H40O14Smiles:
CC1(C)OC2CC(=O)OC23C1CC(=O)C1(C)C3CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)OAglycone:
CC1(C)OC2CC(=O)OC23C1CC(=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: | 5 | FractionCSP3: | 0.77 |
AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
MolWt: | 636.65 | Num_heavy_atoms: | 45 |
TPSA: | 214.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD49060
Formula: C25H30O9
Smiles:
CC1(C)OC2CC(=O)OC23C1CC(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OHBA: | 9 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.72 |
AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
MolWt: | 474.51 | Num_heavy_atoms: | 34 |
TPSA: | 135.8 | NumAromaticRings: | 1 |