Glycoside

GD158088
Name:
9"-HydroxyjasmesosideFormula:
C27H42O14Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.78 |
AlogP: | -2.05 | Num_rotatable_bonds: | 11 |
MolWt: | 590.62 | Num_heavy_atoms: | 41 |
TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD62427
Formula: C21H32O9
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COHBA: | 9 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.71 |
AlogP: | 0.12 | Num_rotatable_bonds: | 8 |
MolWt: | 428.48 | Num_heavy_atoms: | 30 |
TPSA: | 142.75 | NumAromaticRings: | 0 |