Glycoside
GD143259
Name:
1,4',5',8,9',10-hexahydroxy-2'-(hydroxymethyl)-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dioneFormula:
C36H32O14Smiles:
Cc1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.28 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 688.64 | Num_heavy_atoms: | 50 |
| TPSA: | 265.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD57633
Formula: C30H22O9
Smiles:
Cc1cc(O)c2c(c1)C(O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 526.5 | Num_heavy_atoms: | 39 |
| TPSA: | 175.75 | NumAromaticRings: | 4 |
