Glycoside
GD154720
Name:
4,4',5,5'-tetrahydroxy-2'-methoxy-2,7'-dimethyl-9'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,10,10'-trioneFormula:
C37H32O13Smiles:
COc1cc(O)c2c(c1-c1c(C)cc(O)c3c1C(=O)c1cccc(O)c1C3=O)C(C1OC(CO)C(O)C(O)C1O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1-c1c(C)cc(O)c3c1C(=O)c1cccc(O)c1C3=O)Cc1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 684.65 | Num_heavy_atoms: | 50 |
| TPSA: | 231.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD61425
Formula: C31H22O8
Smiles:
COc1cc(O)c2c(c1-c1c(C)cc(O)c3c1C(=O)c1cccc(O)c1C3=O)Cc1cc(C)cc(O)c1C2=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 522.51 | Num_heavy_atoms: | 39 |
| TPSA: | 141.36 | NumAromaticRings: | 4 |
