Glycoside
GD153226
Name:
1-hydroxy-3-({4-[(2-oxopropyl)amino]cyclohexyl}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C30H37O10NSmiles:
CC(=O)CNC1CCC(CC2=CC3C(=O)c4cccc(OC5OC(CO)C(O)C(O)C5O)c4C(=O)C3C(O)=C2)CC1Aglycone:
CC(=O)CNC1CCC(CC2=CC3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.62 | Num_heavy_atoms: | 41 |
| TPSA: | 182.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD60957
Formula: C24H27O5N
Smiles:
CC(=O)CNC1CCC(CC2=CC3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2)CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.48 | Num_heavy_atoms: | 30 |
| TPSA: | 103.7 | NumAromaticRings: | 1 |
