Glycoside

GD153064
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-methyl-5-(1,3,6-trihydroxy-2,2,6-trimethylcyclohexyl)penta-2,4-dienoateFormula:
C30H46O13Smiles:
CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CC(=O)OC1CC(C)(O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12Aglycone:
CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.77 |
AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
MolWt: | 614.69 | Num_heavy_atoms: | 43 |
TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60901
Formula: C24H36O8
Smiles:
CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CC(=O)OC1CC(C)(O)C2C(O)OC=CC12HBA: | 8 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.71 |
AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
MolWt: | 452.54 | Num_heavy_atoms: | 32 |
TPSA: | 136.68 | NumAromaticRings: | 0 |