Glycoside
GD139369
Name:
3-ethenyl-4-({1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl acetateFormula:
C27H34O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(OC(C)=O)C1CC1NCCc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(OC(C)=O)C1CC1NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 162.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD56197
Formula: C21H24O4N2
Smiles:
C=CC1C(O)OC=C(OC(C)=O)C1CC1NCCc2c1[nH]c1ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 83.58 | NumAromaticRings: | 2 |
