Glycoside
GD128222
Name:
Jasnudifloside LFormula:
C50H74O28Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)CC1C(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.76 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 20 |
| MolWt: | 1123.11 | Num_heavy_atoms: | 78 |
| TPSA: | 421.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD51942
Formula: C32H44O13
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(C)CO| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 636.69 | Num_heavy_atoms: | 45 |
| TPSA: | 184.35 | NumAromaticRings: | 0 |
