Glycoside
GD121311
Name:
6-cyclohexyl-5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C29H32O11Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.56 | Num_heavy_atoms: | 40 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD48825
Formula: C23H22O7
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCCCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.42 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
