Glycoside
GD150569
Name:
1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-(3,4,5-trihydroxy-6-methyloxan-2-yl)-9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10-trioneFormula:
C36H30O11Smiles:
Cc1cc(O)c2c(c1)C(C1OC(C)C(O)C(O)C1O)c1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 638.63 | Num_heavy_atoms: | 47 |
| TPSA: | 202.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD51050
Formula: C30H20O7
Smiles:
Cc1cc(O)c2c(c1)Cc1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.1 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 492.48 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 4 |
