Glycoside
GD123001
Name:
5-hydroxy-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:
C38H34O12Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(CO)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(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: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.68 | Num_heavy_atoms: | 50 |
| TPSA: | 200.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD49613
Formula: C32H24O7
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.54 | Num_heavy_atoms: | 39 |
| TPSA: | 121.13 | NumAromaticRings: | 4 |
