Glycoside
GD122008
Name:
2-(hydroxymethyl)-6-({7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indol-8-yl}oxy)oxane-3,4,5-triolFormula:
C19H24O7N2Smiles:
COc1ccc2c3c([nH]c2c1OC1OC(CO)C(O)C(O)C1O)C(C)=NCC3Aglycone:
COc1ccc2c3c([nH]c2c1O)C(C)=NCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.41 | Num_heavy_atoms: | 28 |
| TPSA: | 136.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD49141
Formula: C13H14O2N2
Smiles:
COc1ccc2c3c([nH]c2c1O)C(C)=NCC3| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.27 | Num_heavy_atoms: | 17 |
| TPSA: | 57.61 | NumAromaticRings: | 2 |
