Glycoside
GD114241
Name:
{3,4,5-trihydroxy-6-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C26H24O10N2Smiles:
CC(=O)c1nc(C(=O)OCC2OC(Oc3c(C)occc3=O)C(O)C(O)C2O)cc2c1[nH]c1ccccc12Aglycone:
COC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1.Cc1occc(=O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.48 | Num_heavy_atoms: | 38 |
| TPSA: | 181.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
AD44926
Formula: C15H12O3N2
Smiles:
COC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 72.05 | NumAromaticRings: | 3 |
