Glycoside
GD147685
Name:
5-hydroxy-6-(4-hydroxybutyl)-4-(hydroxymethyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C27H30O12Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCCO)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD59136
Formula: C21H20O8
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
