Glycoside
GD149026
Name:
PrecarthaminFormula:
C44H44O24Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(C(=O)O)C2=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(C(C(=O)O)C2=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: | 24 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.34 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 13 |
| MolWt: | 956.81 | Num_heavy_atoms: | 68 |
| TPSA: | 447.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD59597
Formula: C32H24O14
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(C(C(=O)O)C2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=O| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.09 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 632.53 | Num_heavy_atoms: | 46 |
| TPSA: | 267.42 | NumAromaticRings: | 2 |
