Glycoside
GD152039
Name:
CarthaminFormula:
C43H42O22Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(=O)C(=CC2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(=O)C(=CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.33 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 910.79 | Num_heavy_atoms: | 65 |
| TPSA: | 407.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD48784
Formula: C31H22O12
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(=O)C(=CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=O| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.06 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 586.51 | Num_heavy_atoms: | 43 |
| TPSA: | 226.96 | NumAromaticRings: | 2 |
