Glycoside
GD157500
Name:
Oxopropaline BFormula:
C21H24O7N2Smiles:
Cc1cnc(C(=O)C(O)COC2OC(C)C(O)C(O)C2O)c2[nH]c3ccccc3c12Aglycone:
Cc1cnc(C(=O)C(O)CO)c2[nH]c3ccccc3c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 145.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD52848
Formula: C15H14O3N2
Smiles:
Cc1cnc(C(=O)C(O)CO)c2[nH]c3ccccc3c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.21 | NumAromaticRings: | 3 |
