Glycoside
GD145533
Name:
17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.2¹¹,¹â´.1³,â·.1¹â¶,²â°]dotriaconta-1(26),11,13,24,27,30-hexaen-4-yl benzoateFormula:
C52H56O26Smiles:
O=C1OCC2OC(Oc3ccc(cc3)C(=O)OCC3OC(Oc4ccc1cc4)C(OC(=O)c1ccccc1)C(O)C3OC1OC(CO)C(O)C(O)C1O)C(OC(=O)c1ccccc1)C(O)C2OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1OCC2OC(Oc3ccc(cc3)C(=O)OCC3OC(Oc4ccc1cc4)C(OC(=O)c1ccccc1)C(O)C3O)C(OC(=O)c1ccccc1)C(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 12 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 1096.99 | Num_heavy_atoms: | 78 |
| TPSA: | 381.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD58412
Formula: C40H36O16
Smiles:
O=C1OCC2OC(Oc3ccc(cc3)C(=O)OCC3OC(Oc4ccc1cc4)C(OC(=O)c1ccccc1)C(O)C3O)C(OC(=O)c1ccccc1)C(O)C2O| HBA: | 16 | RingCount: | 10 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 772.71 | Num_heavy_atoms: | 56 |
| TPSA: | 223.04 | NumAromaticRings: | 4 |
