Glycoside
GD131848
Name:
5-hydroxy-1-{2-[3-(2-hydroxyethyl)phenyl]ethenyl}-4-(hydroxymethyl)-6-{[3-(hydroxymethyl)phenyl]methyl}-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C41H40O13Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(CO)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 740.76 | Num_heavy_atoms: | 54 |
| TPSA: | 220.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD53398
Formula: C35H30O9
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 594.62 | Num_heavy_atoms: | 44 |
| TPSA: | 161.59 | NumAromaticRings: | 4 |
