Glycoside
GD120654
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1'-methyl-2-oxo-1,1',2,4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylateFormula:
C26H32O9N2Smiles:
CC1OC=C(C(=O)OC2OC(CO)C(O)C(O)C2O)C2CC3N(CCC34C(O)=Nc3ccccc34)CC12Aglycone:
CC1OC=C(C(=O)O)C2CC3N(CCC34C(O)=Nc3ccccc34)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.55 | Num_heavy_atoms: | 37 |
| TPSA: | 161.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD48497
Formula: C20H22O4N2
Smiles:
CC1OC=C(C(=O)O)C2CC3N(CCC34C(O)=Nc3ccccc34)CC12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.41 | Num_heavy_atoms: | 26 |
| TPSA: | 82.36 | NumAromaticRings: | 1 |
