Glycoside
GD133318
Name:
Jasnudifloside KFormula:
C33H52O18Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 736.76 | Num_heavy_atoms: | 51 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD53963
Formula: C21H32O8
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(C)CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
