Glycoside
GD114606
Name:
3-carboxy-1-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-7H-pyrido[3,4-b]indol-7-ideFormula:
C20H22O9N2Smiles:
O=C(O)c1cc2c([n-]c3ccccc32)c(C(CO)OC2OC(CO)C(O)C(O)C2O)[nH+]1Aglycone:
O=C(O)c1cc2c([n-]c3ccccc32)c(C(O)CO)[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 185.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD45160
Formula: C14H12O4N2
Smiles:
O=C(O)c1cc2c([n-]c3ccccc32)c(C(O)CO)[nH+]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 106.0 | NumAromaticRings: | 3 |
