Glycoside
GD132320
Name:
1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acidFormula:
C17H22O7N2Smiles:
O=C(O)C1Cc2c([nH]c3ccccc23)C(C(O)C(O)C(O)C(O)CO)N1Aglycone:
O=C(O)C1Cc2c([nH]c3ccccc23)CN1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 166.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD53567
Formula: C12H12O2N2
Smiles:
O=C(O)C1Cc2c([nH]c3ccccc23)CN1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
