Glycoside
GD141100
Name:
2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2',4,4',5,5'-pentahydroxy-7,7'-dimethyl-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetroneFormula:
C35H26O14Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(OC3OC(CO)C(O)C3O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.2 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 670.58 | Num_heavy_atoms: | 49 |
| TPSA: | 248.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD18198
Formula: C30H18O10
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 538.46 | Num_heavy_atoms: | 40 |
| TPSA: | 189.66 | NumAromaticRings: | 4 |
