Glycoside
GD148099
Name:
Craigoside AFormula:
C61H86O34Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.7 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 25 |
| MolWt: | 1363.33 | Num_heavy_atoms: | 95 |
| TPSA: | 503.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD59278
Formula: C43H56O19
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC| HBA: | 19 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 16 |
| MolWt: | 876.9 | Num_heavy_atoms: | 62 |
| TPSA: | 266.41 | NumAromaticRings: | 0 |
