Glycoside
GD119127
Name:
3-ethenyl-4-({1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C32H42O14N2Smiles:
C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1NCCc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 678.69 | Num_heavy_atoms: | 48 |
| TPSA: | 252.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD08714
Formula: C20H22O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2c1[nH]c1ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.41 | Num_heavy_atoms: | 26 |
| TPSA: | 94.58 | NumAromaticRings: | 2 |
