Glycoside
GD147574
Name:
Biopterin-A-GlucosideFormula:
C15H21O8N5Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1Aglycone:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.36 | Num_heavy_atoms: | 28 |
| TPSA: | 218.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD46585
Formula: C9H11O3N5
Smiles:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.22 | Num_heavy_atoms: | 17 |
| TPSA: | 139.0 | NumAromaticRings: | 2 |
