Glycoside
GD117918
Name:
1-hydroxy-3-({4-[(2-hydroxypropyl)amino]cyclohexyl}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C30H39O10NSmiles:
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: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 573.64 | Num_heavy_atoms: | 41 |
| TPSA: | 186.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD47087
Formula: C24H29O5N
Smiles:
CC(O)CNC1CCC(CC2=CC3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2)CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.5 | Num_heavy_atoms: | 30 |
| TPSA: | 106.86 | NumAromaticRings: | 1 |
