Glycoside
GD142763
Name:
6-cyclohexyl-5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C37H38O11Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.7 | Num_heavy_atoms: | 48 |
| TPSA: | 180.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD57444
Formula: C31H28O7
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.56 | Num_heavy_atoms: | 38 |
| TPSA: | 121.13 | NumAromaticRings: | 3 |
