Glycoside
GD126990
Name:
6-cyclohexyl-5-hydroxy-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C36H36O10Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.67 | Num_heavy_atoms: | 46 |
| TPSA: | 159.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD51404
Formula: C30H26O6
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.53 | Num_heavy_atoms: | 36 |
| TPSA: | 100.9 | NumAromaticRings: | 3 |
