Glycoside
GD146810
Name:
5-hydroxy-4-(hydroxymethyl)-6-{[3-(hydroxymethyl)phenyl]methyl}-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C39H36O13Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(CO)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 712.7 | Num_heavy_atoms: | 52 |
| TPSA: | 220.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD48401
Formula: C33H26O8
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.56 | Num_heavy_atoms: | 41 |
| TPSA: | 141.36 | NumAromaticRings: | 4 |
