Glycoside
GD146762
Name:
1-hydroxy-6-methoxy-3-(piperidin-4-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C26H29O10NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C3CCNCC3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C3CCNCC3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 515.52 | Num_heavy_atoms: | 37 |
| TPSA: | 175.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD58827
Formula: C20H19O5N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C3CCNCC3)cc(O)c1C2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 353.37 | Num_heavy_atoms: | 26 |
| TPSA: | 95.86 | NumAromaticRings: | 2 |
