Glycoside
GD124805
Name:
6-{[8-ethyl-8,10,11-trihydroxy-7-(methoxycarbonyl)-5,12-dioxo-5,7,8,9,10,12-hexahydrotetracen-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H28O14Smiles:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(OC4OC(C(=O)O)C(O)C(O)C4O)cccc2C3=O)C1C(=O)OCAglycone:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.52 | Num_heavy_atoms: | 42 |
| TPSA: | 237.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD48735
Formula: C22H20O8
Smiles:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.39 | Num_heavy_atoms: | 30 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
