Glycoside
GD130841
Name:
6-cyclopentyl-5-hydroxy-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C27H28O10Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C3CCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.51 | Num_heavy_atoms: | 37 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD53016
Formula: C21H18O6
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C3CCCC3)c(O)c1C2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.37 | Num_heavy_atoms: | 27 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
