Glycoside
GD147211
Name:
6-(4-hydroxyphenyl)-8-(2,3,4,5-tetrahydroxypentyl)-1,2,3,4,7,8-hexahydropteridine-2,4,7-trioneFormula:
C17H18O8N4Smiles:
O=c1c(-c2ccc(O)cc2)nc2c(O)nc(O)nc2n1CC(O)C(O)C(O)COAglycone:
Cn1c(=O)c(-c2ccc(O)cc2)nc2c(O)nc(O)nc21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.35 | Num_heavy_atoms: | 29 |
| TPSA: | 202.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD58966
Formula: C13H10O4N4
Smiles:
Cn1c(=O)c(-c2ccc(O)cc2)nc2c(O)nc(O)nc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.25 | Num_heavy_atoms: | 21 |
| TPSA: | 121.36 | NumAromaticRings: | 3 |
