Glycoside
GD146443
Name:
5-hydroxy-6-methyl-9,10-dioxo-8-pentyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C28H32O10Smiles:
CCCCCc1c(OC2OC(C)C(O)C(O)C2O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)ccc1C2=OAglycone:
CCCCCc1c(O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)ccc1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.55 | Num_heavy_atoms: | 38 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD58724
Formula: C22H22O6
Smiles:
CCCCCc1c(O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)ccc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.41 | Num_heavy_atoms: | 28 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
