Glycoside
GD139196
Name:
5-hydroxy-1-{2-[3-(2-hydroxyethyl)phenyl]ethenyl}-6-methyl-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C33H32O11Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 604.61 | Num_heavy_atoms: | 44 |
| TPSA: | 180.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD56124
Formula: C27H22O7
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.47 | Num_heavy_atoms: | 34 |
| TPSA: | 121.13 | NumAromaticRings: | 3 |
