Glycoside
GD130903
Name:
5-hydroxy-4-(hydroxymethyl)-6-methyl-9,10-dioxo-8-pentyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C29H34O11Smiles:
CCCCCc1c(OC2OC(C)C(O)C(O)C2O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)cc(CO)c1C2=OAglycone:
CCCCCc1c(O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)cc(CO)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD53048
Formula: C23H24O7
Smiles:
CCCCCc1c(O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)cc(CO)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
